several major changes in code, several minor changes in style; prepared for OT meeting

14 files changed, 552 insertions, 184 deletions

diff --git a/application.rb b/application.rb
index 925c208..5cd5093 100644
--- a/application.rb
+++ b/application.rb
@@ -8,10 +8,11 @@ require_relative 'helper.rb'
 require File.join(ENV["HOME"],".opentox","config","lazar-gui.rb") # until added to ot-tools
 
 helpers do
-  # fetch models from uri-list
+  # get prediction models from text file, ignore validation models
+  # model uris must be manually added
   @@models = []
-  uris = `curl -Lk -X GET -H accept:text/uri-list #{$model[:uri]} `.chomp.split("\n")
-  uris.each{|u| m = OpenTox::Model::Lazar.find u; @@models << m}
+  CSV.foreach("./prediction_models.csv"){|uri| m = OpenTox::Model::Lazar.find uri[0]; @@models << m}
+  #$logger.debug "model uris from csv file:\t#{@@models}\n"
 end
 
 get '/?' do
@@ -27,36 +28,126 @@ get '/jme_help/?' do
   File.read(File.join('views','jme_help.html'))
 end
 
-# best way to get individual compound uri for details
+# get individual compound details
 get '/prediction/:neighbor/details/?' do
-  @compound_uri = OpenTox::Compound.new params[:neighbor]
-  @smiles = @compound_uri.smiles
+  @compound = OpenTox::Compound.new params[:neighbor]
+  @smiles = @compound.smiles
+
   task = OpenTox::Task.run("look for names.") do
-    names = @compound_uri.names
+    names = @compound.names
   end
   task.wait
+
   case task[RDF::OT.hasStatus]
   when "Error"
     @names = "No names for this compound available."
   when "Completed"
-    @names = @compound_uri.names.join(",")
+    @names = @compound.names
   end
-  @inchi = @compound_uri.inchi.gsub("InChI=", "")
+  @inchi = @compound.inchi.gsub("InChI=", "")
+
   haml :details, :layout => false
 end
 
+# fingerprints for compound in predictions
+get '/prediction/:model_uri/:type/:compound_uri/fingerprints/?' do
+  @type = params[:type]
+  model = OpenTox::Model::Lazar.find params[:model_uri]
+  feature_dataset = OpenTox::Dataset.find model[RDF::OT.featureDataset]
+  @compound = OpenTox::Compound.new params[:compound_uri]
+
+  if @type =~ /classification/i
+    # collect all feature values with fingerprint
+    fingerprints = OpenTox::Algorithm::Descriptor.send("smarts_match", [@compound], feature_dataset.features.collect{ |f| f[RDF::DC.title]})[@compound.uri]
+    #$logger.debug "fingerprints:\t#{fingerprints}\n"
+
+    # collect fingerprints with value 1
+    @fingerprint_values = []
+    fingerprints.each{|smarts, value| @fingerprint_values << [smarts, value] if value > 0}
+    
+    # collect all features from feature_dataset
+    @features = feature_dataset.features.collect{|f| f }
+    
+    # search for each fingerprint in all features and collect feature values(smarts, pValue, effect)
+    @significant_fragments = []
+    @fingerprint_values.each{ |fi, v| @features.each{ |f| @significant_fragments << [f[RDF::OT.effect].to_i, f[RDF::OT.smarts], f[RDF::OT.pValue]] if fi == f[RDF::OT.smarts] } }
+  else #regression
+    @significant_fragments = []
+  end
+
+  haml :significant_fragments, :layout => false
+end
+
+get '/prediction/:model_uri/:type/:neighbor/significant_fragments/?' do
+  @type = params[:type]
+  #$logger.debug "sf type:\t#{@type}"
+  @compound = OpenTox::Compound.new params[:neighbor]
+  #$logger.debug "neighbor compound uri:\t#{@compound.uri}\n"
+  
+  model = OpenTox::Model::Lazar.find params[:model_uri]
+  #$logger.debug "model for significant fragments:\t#{model.uri}"
+  
+  feature_dataset = OpenTox::Dataset.find model[RDF::OT.featureDataset]
+  $logger.debug "fd :\t#{feature_dataset.uri}"
+  
+  # load all compounds
+  feature_dataset.compounds
+  
+  # load all features
+  @features = []
+  feature_dataset.features.each{|f| @features << f}
+  #$logger.debug "all features in fd:\t#{@features}\n"
+  
+  # find all features and values for a neighbor compound
+  @significant_fragments = []
+  # check type first
+  if @type =~ /classification/i
+    @feat = []
+    # get compound index in feature dataset
+    c_idx = feature_dataset.compound_indices @compound.uri
+    #$logger.debug "compound idx:\t#{c_idx}\n"
+
+    # collect feature uris with value
+    @features.each{|f| @feat << [feature_dataset.data_entry_value(c_idx[0], f.uri), f.uri]}
+    #$logger.debug "collected features:\t#{@feat}\n"
+
+    # pass feature uris if value > 0
+    @feat.each do |f|
+      if f[0] > 0
+        f = OpenTox::Feature.find f[1]
+        @significant_fragments << [f[RDF::OT.effect].to_i, f[RDF::OT.smarts], f[RDF::OT.pValue].to_f.round(3)]
+      end
+    end
+  else # regression
+    # find a value in feature dataset by compound and feature
+    @values = []
+    @features.each{|f| @values << feature_dataset.values(@compound, f)}
+    #$logger.debug "values in fd:\t#{@values}"
+    
+    count = 0
+    @features.each{|f| @significant_fragments << [f.description, @values[count]]; count +=1}
+  end  
+  #$logger.debug "significant fragments:\t#{@significant_fragments}\n"
+  
+  haml :significant_fragments, :layout => false
+end
+
 post '/predict/?' do
   # validate identifier input
   task = OpenTox::Task.run("Validate SMILES string.") do
     # transfered input
     @identifier = params[:identifier]
+
     # get compound from SMILES
     @compound = OpenTox::Compound.from_smiles @identifier.to_s
+
     # validate SMILES by converting to INCHI
     inchi = @compound.inchi
   end
+
   # necessary to wait for task
   task.wait
+
   # case task fails return message smiles invalid  
   # case task completed go ahead
   case task[RDF::OT.hasStatus]
@@ -66,30 +157,41 @@ post '/predict/?' do
   when "Completed"
     @identifier = params[:identifier]
     @compound = OpenTox::Compound.from_smiles @identifier.to_s
-    # init
-    @@prediction_models = []
-    @@predictions = []
+    # init arrays
+    @prediction_models = []
+    @predictions = []
     # init lazar algorithm
     lazar = OpenTox::Algorithm::Fminer.new File.join($algorithm[:uri],"lazar")
-    # gather models from service and compare if selected
-    #TODO compare selected by uri
+    
+    # get selected models
+    #TODO compare if model is selected by uri not title
     params[:selection].each do |model|
-      @mselected = model[0]
-      @mall = @@models
-      @mall.each do |m|
-        @@prediction_models << m if m.title =~ /#{@mselected}/
+      # selected model = model[0]
+      # compare selected with all models
+      @@models.each do |m|
+        @prediction_models << m if m.title =~ /#{model[0]}/
       end
     end
 
     # predict with selected models
-    # results in prediction variable
-    # store prediction in array for better handling
-    @@prediction_models.each do |m|
+    # one prediction in 'pa' array = OpenTox::Dataset
+    # all collected predictions in '@predictions' array
+    # init model_type array
+    @model_type = []
+    @prediction_models.each do |m|
+      # define type (classification|regression)
+      m.type.join =~ /classification/i ? (@model_type << "classification") : (@model_type << "regression")
+      
+      #TODO each prediction get a task; load predictions page if first task finished and load results individually
+
+      # predict against compound
       @prediction_uri = m.run :compound_uri => "#{@compound.uri}"
+      $logger.debug "prediction dataset:\t#{@prediction_uri}\n"
+      
       prediction = OpenTox::Dataset.new @prediction_uri
       pa = []
       pa << prediction
-      @@predictions << pa
+      @predictions << pa
     end
     
     haml :prediction
diff --git a/prediction_models.csv b/prediction_models.csv
new file mode 100644
index 0000000..e69de29
--- /dev/null
+++ b/prediction_models.csv
diff --git a/public/images/OpenToxEuro2013.png b/public/images/OpenToxEuro2013.png
deleted file mode 100644
index 4fe1005..0000000
--- a/public/images/OpenToxEuro2013.png
+++ /dev/null
diff --git a/public/images/OpenToxEuro2013_small.png b/public/images/OpenToxEuro2013_small.png
new file mode 100644
index 0000000..9613452
--- /dev/null
+++ b/public/images/OpenToxEuro2013_small.png
diff --git a/public/images/favicon.ico b/public/images/favicon.ico
new file mode 100644
index 0000000..be19592
--- /dev/null
+++ b/public/images/favicon.ico
diff --git a/public/stylesheets/screen.css b/public/stylesheets/screen.css
index c7cd00f..a81705c 100644
--- a/public/stylesheets/screen.css
+++ b/public/stylesheets/screen.css
@@ -1 +1 @@
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fieldset#middle #details_Rodent{background-color:#e6e5f3;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;padding:1em}.content fieldset#bottom{border:0;background-color:#c5c1e4;padding:10px;margin-bottom:5em;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-border-radius-bottomleft:25px;-webkit-border-bottom-left-radius:25px;border-bottom-left-radius:25px;-moz-border-radius-bottomright:25px;-webkit-border-bottom-right-radius:25px;border-bottom-right-radius:25px;-webkit-background-clip:border;-moz-background-clip:border;background-clip:border-box}.content fieldset#bottom input#predict{margin-left:1em}.content .predictions{background-color:#c5c1e4;padding:10px;text-align:justify;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-border-radius-topleft:25px;-webkit-border-top-left-radius:25px;border-top-left-radius:25px;-moz-border-radius-bottomleft:25px;-webkit-border-bottom-left-radius:25px;border-bottom-left-radius:25px;-moz-border-radius-topright:25px;-webkit-border-top-right-radius:25px;border-top-right-radius:25px;-moz-border-radius-bottomright:25px;-webkit-border-bottom-right-radius:25px;border-bottom-right-radius:25px;-webkit-background-clip:border;-moz-background-clip:border;background-clip:border-box}.content .overview{background-image:url("/images/gray_jean.png");padding:12px;margin-top:1em;margin-bottom:1em;text-align:left;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-border-radius-topleft:25px;-webkit-border-top-left-radius:25px;border-top-left-radius:25px;-moz-border-radius-topright:25px;-webkit-border-top-right-radius:25px;border-top-right-radius:25px;-webkit-background-clip:border;-moz-background-clip:border;background-clip:border-box}.content .overview a:hover{color:#f55}.content .overview caption{text-align:left}.content .overview #overview tr td{background-color:#fff;border:1px solid #dad9c7;padding-left:1em;padding-top:0.5em}.content .overview #overview tr td #compound{width:200px}.content .overview #overview tr td b.c{color:#d42200}.content .overview #overview tr td b.n{color:#5c8533}.content .overview #overview tr td .confidence{display:inline}.content .error{background-color:#c5c1e4;padding:15px;-webkit-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,-1px -1px 5px rgba(0,0,0,0.3) inset;-moz-border-radius-topleft:25px;-webkit-border-top-left-radius:25px;border-top-left-radius:25px;-moz-border-radius-bottomleft:25px;-webkit-border-bottom-left-radius:25px;border-bottom-left-radius:25px;-moz-border-radius-topright:25px;-webkit-border-top-right-radius:25px;border-top-right-radius:25px;-moz-border-radius-bottomright:25px;-webkit-border-bottom-right-radius:25px;border-bottom-right-radius:25px;-webkit-background-clip:border;-moz-background-clip:border;background-clip:border-box}.content .error .message{margin-top:1em;padding:1em;border:2px solid #f55;background-color:#fff;color:#f55;-moz-border-radius-topleft:25px;-webkit-border-top-left-radius:25px;border-top-left-radius:25px;-moz-border-radius-bottomleft:25px;-webkit-border-bottom-left-radius:25px;border-bottom-left-radius:25px;-moz-border-radius-topright:25px;-webkit-border-top-right-radius:25px;border-top-right-radius:25px;-moz-border-radius-bottomright:25px;-webkit-border-bottom-right-radius:25px;border-bottom-right-radius:25px;-webkit-background-clip:border;-moz-background-clip:border;background-clip:border-box}.content #closebutton{color:#f55;margin-left:98%;padding:0}.details{width:98%;background-color:#c5c1e4;-moz-border-radius-bottomleft:5px;-webkit-border-bottom-left-radius:5px;border-bottom-left-radius:5px;-moz-border-radius-bottomright:5px;-webkit-border-bottom-right-radius:5px;border-bottom-right-radius:5px;-webkit-background-clip:border;-moz-background-clip:border;background-clip:border-box;-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset}.details a:hover{color:#f55}.details img{display:inline;float:left;margin:0.5em}.significant_fragments{width:98%;margin-bottom:2em;background-color:#c5c1e4;-moz-border-radius-bottomleft:5px;-webkit-border-bottom-left-radius:5px;border-bottom-left-radius:5px;-moz-border-radius-bottomright:5px;-webkit-border-bottom-right-radius:5px;border-bottom-right-radius:5px;-webkit-background-clip:border;-moz-background-clip:border;background-clip:border-box;-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset}.significant_fragments img{display:inline;float:left;margin:0.5em}.significant_fragments table#sf1{text-align:left}.significant_fragments table#sf1 td{padding:0.2em}.descriptors{width:98%;margin-bottom:2em;background-color:#c5c1e4;-moz-border-radius-bottomleft:5px;-webkit-border-bottom-left-radius:5px;border-bottom-left-radius:5px;-moz-border-radius-bottomright:5px;-webkit-border-bottom-right-radius:5px;border-bottom-right-radius:5px;-webkit-background-clip:border;-moz-background-clip:border;background-clip:border-box;-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset}.descriptors img{display:inline;float:left;margin:0.5em}.descriptors table#sf2{text-align:left}.descriptors table#sf2 td{padding:0.2em}.results{background-image:url("/images/gray_jean.png");overflow-x:auto;overflow-y:hidden;margin-top:2em;margin-bottom:2em;-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset}.results a:hover{color:#f55}.results .tablesorter{width:100%;text-align:left}.results .tablesorter thead{background-color:#e6e5f3}.results .tablesorter thead tr th.header{background-image:url("/images/bg.gif");background-repeat:no-repeat;background-position:center left;cursor:pointer;padding-left:20px;border:1px solid #dad9c7;margin-left:-1px}.results .tablesorter thead tr th.headerSortDown{background-image:url("/images/desc.gif");background-color:#c5c1e4}.results .tablesorter thead tr th.headerSortUp{background-image:url("/images/asc.gif");background-color:#c5c1e4}.results .tablesorter tbody tr td{padding-left:1em;-webkit-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;-moz-box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset;box-shadow:1px 1px 1px #fff inset,0px -1px 2px rgba(0,0,0,0.3) inset}.results .tablesorter tbody .compound{width:200px;padding:0.2em}.results .tablesorter tbody .n{color:#5c8533}.results .tablesorter tbody .c{color:#d42200}input#predict{border:0px;background-color:#c5c1e4;margin:0;padding:0}.tooltip{background-color:#fff;border:2px solid #ccc;font-size:0.5em;padding:1em;display:none;z-index:50}.footer{margin:20px 0 20px 0}
diff --git a/public/stylesheets/screen.sass b/public/stylesheets/screen.sass
index cb6dcdf..bfbedc6 100644
--- a/public/stylesheets/screen.sass
+++ b/public/stylesheets/screen.sass
@@ -1,16 +1,14 @@
 //@import compass/reset, compass/css3, compass/utilities, compass/layout
 @import compass/css3
 
-$bg-color: #CCCCFF
+//$bg-color: #CCCCFF
 $ist-color: #C5C1E4
 
 body
   background-image: url("/images/gray_jean.png")
-  background-color: $bg-color
+  //background-color: $bg-color
   overflow: scroll
   font-family: sans-serif
-  //min-width: 800px
-  //min-heigth: 600px
   a
     text-decoration: none
     font-weight: bold
@@ -18,6 +16,11 @@ body
   //for IE
   img
     border: 0
+  h2
+    padding-top: 12px
+    text-shadow: #FFF 1px 1px 0
+    font-size: x-large
+    color: #FF5555 
 
 .logo
   img
@@ -43,12 +46,8 @@ body
     font-size: x-large
     font-family: Verdana
     display: inline
-  h2
-    text-shadow: #FFF 1px 1px 0
-    font-size: x-large
-    color: #FF5555 
   .arrow
-    margin: 5px 0px 5px 20px
+    margin: 8px 0px 5px 20px
   .back
     display: inline
   //.close
@@ -88,6 +87,28 @@ body
     #model a
       display: inline
       font-weight: normal
+    a#linkDetailsLC50_mmol
+      font-size: small
+    a#linkDetailsHamster
+      font-size: small
+    a#linkDetailsRodent
+      font-size: small
+    #details_LC50_mmol
+      background-color: adjust-lightness($ist-color, 10%)
+      //background-image: url("/images/gray_jean.png")
+      +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba(black, 0.3) inset)
+      padding: 1em
+    #details_Hamster
+      background-color: adjust-lightness($ist-color, 10%)
+      //background-image: url("/images/gray_jean.png")
+      +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba(black, 0.3) inset)
+      padding: 1em
+    #details_Rodent
+      background-color: adjust-lightness($ist-color, 10%)
+      //background-image: url("/images/gray_jean.png")
+      +box-shadow(1px 1px 1px rgba(white, 1) inset, -1px -1px 5px rgba(black, 0.3) inset)
+      padding: 1em
+
   fieldset#bottom
     border: 0
     background-color: $ist-color
@@ -108,6 +129,8 @@ body
     +border-right-radius(25px)
     +background-clip(border-box)
   .overview
+    a:hover
+      color: #FF5555 
     background-image: url("/images/gray_jean.png")
     padding: 12px
     margin-top: 1em
@@ -141,24 +164,74 @@ body
     +background-clip(border-box)
     .message
       margin-top: 1em
-      padding: 0.2em
+      padding: 1em
       border: 2px solid #FF5555
       background-color: #FFFFFF
       color: #FF5555
+      +border-left-radius(25px)
+      +border-right-radius(25px)
+      +background-clip(border-box)
   // close button for iframe also in content class
   #closebutton
-    margin-left: 95%
+    color: #FF5555
+    margin-left: 98%
     padding: 0
-    background-color: $ist-color
-    +border-bottom-left-radius(5px)
-    +border-bottom-right-radius(5px)
+    //background-color: $ist-color
+    //+border-bottom-left-radius(5px)
+    //+border-bottom-right-radius(5px)
     
 .details
+  //height: 100%
+  width: 98%
+  background-color: $ist-color
+  +border-bottom-left-radius(5px)
+  +border-bottom-right-radius(5px)
+  +background-clip(border-box)
+  +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba(black, 0.3) inset)
+  a:hover
+    color: #FF5555
+  img
+    display: inline
+    float: left
+    margin: 0.5em
+
+.significant_fragments
+  //height: 100%
+  width: 98%
   margin-bottom: 2em
-  background-image: url("/images/gray_jean.png")
-  +border-bottom-left-radius(25px)
-  +border-bottom-right-radius(25px)
+  background-color: $ist-color
+  //background-image: url("/images/gray_jean.png")
+  +border-bottom-left-radius(5px)
+  +border-bottom-right-radius(5px)
+  +background-clip(border-box)
+  +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba(black, 0.3) inset)
+  img
+    display: inline
+    float: left
+    margin: 0.5em
+  table#sf1
+    text-align: left
+    td
+      padding: 0.2em
+
+.descriptors
+  //height: 100%
+  width: 98%
+  margin-bottom: 2em
+  background-color: $ist-color
+  //background-image: url("/images/gray_jean.png")
+  +border-bottom-left-radius(5px)
+  +border-bottom-right-radius(5px)
   +background-clip(border-box)
+  +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba(black, 0.3) inset)
+  img
+    display: inline
+    float: left
+    margin: 0.5em
+  table#sf2
+    text-align: left
+    td
+      padding: 0.2em
 
 .results
   background-image: url("/images/gray_jean.png")
@@ -166,9 +239,12 @@ body
   overflow-y: hidden
   margin-top: 2em
   margin-bottom: 2em
+  a:hover
+    color: #FF5555
   +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba(black, 0.3) inset)
   .tablesorter
     width: 100%
+    text-align: left
     thead
       background-color: adjust-lightness($ist-color, 10%)
       tr
@@ -191,7 +267,8 @@ body
         padding-left: 1em
         +box-shadow(1px 1px 1px rgba(white, 1) inset, 0px -1px 2px rgba(black, 0.3) inset)
       .compound
-        width: 200px  
+        width: 200px
+        padding: 0.2em
       .n
         color: #5C8533
       .c
diff --git a/unicorn.rb b/unicorn.rb
new file mode 100644
index 0000000..c0441ab
--- /dev/null
+++ b/unicorn.rb
@@ -0,0 +1,2 @@
+worker_processes 6
+timeout 6000
diff --git a/views/details.haml b/views/details.haml
index 931b0b2..5663c1f 100644
--- a/views/details.haml
+++ b/views/details.haml
@@ -1,15 +1,14 @@
 %link{ :href=>"/stylesheets/screen.css", :media=>"screen, projection", :rel=>"stylesheet", :type=>"text/css"}
 
 .content
-  %button{:id=>"closebutton", :onclick=>"parent.$('#iframe').bPopup().close();parent.$('#iframe_overview').bPopup().close();"}
+  %button{:id=>"closebutton", :onclick=>"parent.$('#iframe_details').bPopup().close();parent.$('#iframe_overview').bPopup().close();"}
     X
     
-  .details
-    %h2{:style=>"margin-top:0px"}
-      Details:
-    %img{:src=>"#{@compound_uri.uri}/image", :alt=>"Compound image not available", :width=>"300px", :heigth=>"300px"}
-    %br
-    %br
+  .details{:style=>"padding:0.5em;min-height:400px;"}
+    %h2{:style=>"margin:0px;margin-left:8px;"}
+      Names and synonyms:
+    %img{:src=>"#{@compound.uri}/image", :alt=>"Compound image not available", :width=>"300px", :heigth=>"300px"}
+    %p
     %b="SMILES:"
     %p= @smiles
     %br
@@ -17,4 +16,10 @@
     %p= @inchi
     %br
     %b="Names:"
-    %p= @names.gsub(",", ";\t")
+    %p{:style=>"padding-left:0.5em;"}
+      = @names
+    %p{:style=>"padding-left:0.5em;"}
+      / pubchem link
+      %a{:href=>"http://aop.in-silico.ch/", :title=>"link opens in new tab", :alt=>"pubchem link", :target=>"_blank"} PubChem read across 
+      %i (experimental)
+
diff --git a/views/layout.haml b/views/layout.haml
index c7f31b6..57c654a 100644
--- a/views/layout.haml
+++ b/views/layout.haml
@@ -3,6 +3,7 @@
   %head
     %meta{'http-equiv' => 'Content-Type', :content => 'text/html; charset=UTF-8'}
     %title Lazar Toxicity Predictions
+    %link{:rel=>'icon', :type=>'image/x-icon', :href=>'/images/favicon.ico'}
     %link{ :href=>"/stylesheets/screen.css", :media=>"screen, projection", :rel=>"stylesheet", :type=>"text/css"}
     %link{ :href=>"/stylesheets/jquery-ui.css", :rel=>"stylesheet"}
     %link{ :href=>"/jsme/jsa.css", :rel=>"stylesheet"}
@@ -23,8 +24,7 @@
         %img{:src=>"/images/ist_logo.png", :alt=>"logo"}
       %h1 Lazar Toxicity Predictions
         
-      %a{:href=> "http://www.opentox.org/news/opentoxeu2013news1"}
-        %img{:src=>"/images/OpenToxEuro2013.png", :alt=>"OpenToxEuro2013", :class => "ote"}
+      %img{:src=>"/images/OpenToxEuro2013_small.png", :alt=>"OpenToxEuro2013", :class => "ote"}
       %hr
     
     .content
diff --git a/views/neighbors.haml b/views/neighbors.haml
index 750b615..39f6272 100644
--- a/views/neighbors.haml
+++ b/views/neighbors.haml
@@ -10,7 +10,7 @@
   #tabs
     %ul
       / each endpoint becomes a tab head ;
-      - @@prediction_models.each do |m|
+      - @prediction_models.each do |m|
         - count_m += 1
         - m_title = m.title.split(" ").first
         %li
@@ -18,15 +18,19 @@
             = m_title
     - count_rs = 0
     / unpack to single arrays
-    - @@predictions.each do |pa|
+    - @predictions.each do |pa|
+      / pass model type for significant fragments view
+      - @type = @model_type[count_rs]
       - count_rs += 1
       #results{:id=>"#{count_rs}"}
         - pa.each do |p|
           / prepare dataset for neighbors table ;
-          / delete first array which contains input compound prediction ;
-          / keep the following arrays they are the neighbor predictions ;
+          / delete first array which contains prediction ;
+          / following arrays are the neighbor predictions ;
+          - @model_uri = p.metadata[RDF::OT.hasSource][0]
           - p.data_entries.shift
           - p.compounds.shift
+          
           / call the tablesorter plugin ;
           / presort by similarity ;
           :javascript
@@ -38,81 +42,95 @@
                 sortList: [[2,1]]
               });
             });
-          / TODO catch table error if tbody is empty      
           %h2= "Neighbors: "
-          %table{:id=>"#{count_rs}", :class=>"tablesorter", :cellspacing=>"1"}
-            %thead
-              %tr
-                %th
-                  Compound
-                %th
-                  %b Measured Activity
-                  / title must be empty for tooltip
-                  %a{:href=>"#", :title=>"", :id=>"measured_activity"}
-                    %img{:src=>"/images/info_white.png"}
-                  .tooltip{:style=>"font-weight: normal; font-size: 1em; text-align: left;"}
-                    %dt
-                      Measured Activity
-                    %dd
-                      Experimental result(s) from the training dataset.
-                %th
-                  %b Similarity
-                  / title must be empty for tooltip
-                  %a{:href=>"#", :title=>"", :id=>"similarity"}
-                    %img{:src=>"/images/info_white.png"}
-                  .tooltip{:style=>"font-weight: normal; font-size: 1em; text-align: left;"}
-                    %dt
-                      Similarity
-                    %dd
-                      %code lazar 
-                      calculates 
-                      %em
-                        activity specific 
-                      similarities based on the presence of statistically significant fragments.
-                      This procedure will
-                      %ul
-                        %li consider only those parts of a chemical structure that are relevant 
-                        for a particular endpoint
-                        %li ignore inert parts of the structure
-                        %li lead to different similarities, depending on the toxic endpoint
-                        Similarities of 1 may be encountered even for structurally dissimilar 
-                        compounds, because inert parts are ignored.
-                %th
-                  Details
-            -#%tbody
-            - count = 0
-            - p.compounds.each do |neighbor_compound|
-              / prevent conversion of nil
-              - c = p.data_entries[count][2] != nil ? p.data_entries[count][2] : '' 
-              - $logger.debug "inspect c :#{c}\n"
-              - case c
-              - when /(0|false)/
-                - c = "non-carcinogen"
-              - when /(1|true)/
-                - c = "carcinogen"
-              - else
-                - c = Array.new
-                - c[0] = p.data_entries[count][2]
-              %tr
-                %td.compound
-                  %img{:src=>"#{neighbor_compound.uri}/image", :alt=>"Compound image not available", :width=>"150px"}
-                %td{:class => c[0]}
-                  - if c.class == String
-                    = c
-                  - else
-                    = c[0]
-                %td{:class => c[0]}
-                  = p.data_entries[count][3] != nil ? p.data_entries[count][3].round(3) : "Not enough similar compounds in training dataset."            
-                %td
-                  %a{:href => to("/prediction/#{CGI.escape(neighbor_compound.uri)}/details"), :id=>"link#{count_rs}#{count}", :target=>"details"}
-                    %img{:src=>"/images/arrow_right_float.png", :alt=>">"}
-                  :javascript
-                    $(function() {
-                        $("a#link#{count_rs}#{count}").on('click', function(e) {
-                            $('#iframe').bPopup();
-                        });
-                    });
-                    
-                - count += 1
+          - $logger.debug "neighbors compounds:\t#{p.data_entries[0]}\n"
+          - if p.data_entries[0][2] != nil && p.data_entries[0].size != 3
+            %table{:id=>"#{count_rs}", :class=>"tablesorter", :cellspacing=>"1"}
+              %thead
+                %tr
+                  %th
+                    Compound
+                  %th
+                    %b Measured Activity
+                    / title must be empty for tooltip
+                    %a{:href=>"#", :title=>"", :id=>"measured_activity"}
+                      %img{:src=>"/images/info_white.png"}
+                    .tooltip{:style=>"font-weight: normal; font-size: 1em; text-align: left;"}
+                      %dt
+                        Measured Activity
+                      %dd
+                        Experimental result(s) from the training dataset.
+                  %th
+                    %b Similarity
+                    / title must be empty for tooltip
+                    %a{:href=>"#", :title=>"", :id=>"similarity"}
+                      %img{:src=>"/images/info_white.png"}
+                    .tooltip{:style=>"font-weight: normal; font-size: 1em; text-align: left;"}
+                      %dt
+                        Similarity
+                      %dd
+                        %code lazar 
+                        calculates 
+                        %em
+                          activity specific 
+                        similarities based on the presence of statistically significant fragments.
+                        This procedure will
+                        %ul
+                          %li consider only those parts of a chemical structure that are relevant 
+                          for a particular endpoint
+                          %li ignore inert parts of the structure
+                          %li lead to different similarities, depending on the toxic endpoint
+                          Similarities of 1 may be encountered even for structurally dissimilar 
+                          compounds, because inert parts are ignored.
+                  %th
+                    Supporting information
+              -#%tbody
+              - count = 0
+              - p.compounds.each do |neighbor_compound|
+                / prevent conversion of nil
+                - c = p.data_entries[count][2] != nil ? p.data_entries[count][2] : '' 
+                - case c
+                - when /(0|false)/
+                  - c = "non-carcinogen"
+                - when /(1|true)/
+                  - c = "carcinogen"
+                - else
+                  - c = Array.new
+                  - c[0] = p.data_entries[count][2]
+                %tr
+                  %td.compound
+                    %img{:src=>"#{neighbor_compound.uri}/image", :alt=>"Compound image not available", :title=>"#{neighbor_compound.smiles}", :width=>"150px"}
+                  %td{:class => c[0]}
+                    - if c.class == String
+                      = c
+                    - else
+                      = c[0]
+                  %td{:class => c[0]}
+                    = p.data_entries[count][3] != nil ? p.data_entries[count][3].round(3) : "Not enough similar compounds in training dataset." 
+                  %td
+                    -#- if p.data_entries[count][3] != nil
+                    %a{:href => to("/prediction/#{CGI.escape(neighbor_compound.uri)}/details"), :id=>"link#{count_rs}#{count}", :target=>"details"} Names and synonymes
+                    %br
+                    - if @type =~ /classification/i
+                      - if p.data_entries[count][3] != nil 
+                        %a{:href => to("/prediction/#{CGI.escape(@model_uri)}/#{@type}/#{CGI.escape(neighbor_compound.uri)}/significant_fragments"), :id=>"link#{count_rs}#{count}sf", :target=>"details"} Significant fragments
+                    - if @type =~ /regression/i
+                      - if p.data_entries[count][3] != nil
+                        %a{:href => to("/prediction/#{CGI.escape(@model_uri)}/#{@type}/#{CGI.escape(neighbor_compound.uri)}/significant_fragments"), :id=>"link#{count_rs}#{count}sf", :target=>"details"} Descriptors
+                    :javascript
+                      $(function() {
+                          $("a#link#{count_rs}#{count}").on('click', function(e) {
+                              $('#iframe_details').bPopup();
+                          });
+                      });
+                      $(function() {
+                          $("a#link#{count_rs}#{count}sf").on('click', function(e) {
+                              $('#iframe_details').bPopup();
+                          });
+                      });
+                  - count += 1
+          - else
+            %h3
+              Not enough similar compounds in training dataset
 
-%iframe{:id=>"iframe", :name=>"details", :height=>"90%", :width=>"90%", :style=>"display:none;border:0px"}
+%iframe{:id=>"iframe_details", :name=>"details", :height=>"95%", :width=>"95%", :style=>"display:none;border:0px"}
diff --git a/views/predict.haml b/views/predict.haml
index c37c61d..5641f6a 100644
--- a/views/predict.haml
+++ b/views/predict.haml
@@ -59,7 +59,7 @@
    
   %fieldset#middle
     %a{:href => "#models", :id => "linkModels"}
-      %h1 2. Select one or more toxic endpoints
+      %h1 2. Select one or more endpoints
     
     :javascript
       $("a#linkModels").click(function () {
@@ -68,20 +68,74 @@
       });
       
     #models
-      %i Please observe validation report for model details.
-
-      // TODO order models by echa endpoint currently manually added and to find in model.type
+      // TODO order models by echa endpoint
       #endpoint
-        %b= "Carcinogenicity:"
+        %b Acute toxicity to fish (lethality):
+      - @models.each do |model|
+        - model_title = model.title.split(" ").first
+        - if model_title =~ /LC50/
+          %div{:id => model_title}
+            %input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false}
+            %label{:for => "selection[#{model_title}]"}
+              = " EPA v4b Fathead Minnow Acute Toxicity "+model_title
+            %a{:href=>"#details", :id => "linkDetails#{model_title}", :title=>"#{model_title} details"}
+              [Details]
+        
+            :javascript
+              $("a#linkDetails#{model_title}").click(function () {
+                $("#details_#{model_title}").toggle();
+                //document.location = document.location + "#" + "details";
+              });
+
+          #details{:id => "#{model_title}", :style=> "display:none;"}
+            %h3 Model Details:
+            //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
+            %p Algorithm: Lazar
+            %p Type: regression
+            %p Training compounds: integer
+            %p Descriptors: Fminer
+            //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
+            //%p= "Feature Dataset:\t#{model[RDF::OT.featureDataset]}"
+            %h3 Validation: 
+            %a{:href => "#"} 
+              Detailed report link
+            %p Number of predictions: integer
+            %p Correct predictions: %
+      %br
+      %b Carcinogenicity:
       - @models.each do |model|
         - model_title = model.title.split(" ").first
-        %div{:id => model_title}
-          %input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false}
-          %label{:for => "selection[#{model_title}]"}
-            = "DSSTox Carcinogenic Potency DBS "+model_title
-          %a{:href=>"#", :title=>"#{model_title} validation"}
-            %i ( Validation report )
-          %br
+        - if model_title =~ /hamster|rodent/i
+          %div{:id => model_title}
+            %input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false}
+            %label{:for => "selection[#{model_title}]"}
+              = " DSSTox Carcinogenic Potency DBS "+model_title
+            %a{:href=>"#details", :id => "linkDetails#{model_title}", :title=>"#{model_title} details"}
+              [Details]
+
+            :javascript
+              $("a#linkDetails#{model_title}").click(function () {
+                $("#details_#{model_title}").toggle();
+                //document.location = document.location + "#" + "details";
+              });
+
+          #details{:id=>"#{model_title}", :style=> "display:none;"}
+            %h3 Model Details:
+            //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
+            %p Algorithm: Lazar
+            %p Type: classification
+            %p Training compounds: integer
+            %p Descriptors: Fminer
+            //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}"
+            //%p= "Feature Dataset:\t#{model[RDF::OT.featureDataset]}"
+            %h3 Validation: 
+            %a{:href => "#"} 
+              Detailed report link
+            %p Number of predictions: integer
+            %p Correct predictions: %
+            %br
+
+      %br
 
   .arrow
     %img{:src=>"/images/arrow_down_float.png", :alt=>"v", :class=> "arrow"}
diff --git a/views/prediction.haml b/views/prediction.haml
index f902504..4002cbd 100644
--- a/views/prediction.haml
+++ b/views/prediction.haml
@@ -4,7 +4,7 @@
       %img{:src=>"/images/arrow_left_float.png", :alt=>"<"}
         %a{:href => to('/predict')} New Prediction
 
-  / displays all prediction results
+  / displays all prediction result in first table
   .overview
     %table{:width=>"100%", :cellspacing=>"1", :id=>"overview"}
       %thead
@@ -17,9 +17,9 @@
           %td{:id=>"compound"}
             %a{:href => to("/prediction/#{CGI.escape(@compound.uri)}/details"), :id=>"linkCompound", :target=>"details_overview"}
               %img{:src=>"#{@compound.uri}/image", :alt=>"Compound image not available", :width=>"150", :height=>"150"}
-            %br
-            %br
-            %img{:src=>"/images/arrow_up_float.png", :alt=>"^"}
+            %p
+            %a{:href => to("/prediction/#{CGI.escape(@compound.uri)}/details"), :id=>"linkCompound", :target=>"details_overview"} Names and synonyms
+            %p
             :javascript
               $(function() {
                 $("a#linkCompound").on('click', function(e) {
@@ -27,18 +27,18 @@
                 });
               });
           - count=0
-          / var for rule to load neighbors page.
-          - @@neighbors_available = 1
-          - @@predictions.each do |pa|
-            / prediction of one model
+          - @predictions.each do |pa|
+            / unpack to single array/prediction
+            / if p.data_entries array[0].size == 3 -> database hit
+            / change 'result' if database hit
+            / change 'confidence' if database hit
             - pa.each do |p|
-              - $logger.debug "inspect p: #{p.inspect}\n"
-              - $logger.debug "inspect data_entries: #{p.data_entries}\n"
-              / p.data_entries > 1 = neighbors available
-              - p.data_entries.length > 1 ? @@neighbors_available = p.data_entries.length : @@neighbors_available
               / prevent conversion of nil
+              /- $logger.debug "data entries in prediction array:\t#{p.data_entries}\n"
+              - database_hit = 0
+              - if p.data_entries[0].size == 3
+                - database_hit = 1
               - c = p.data_entries[0][0] != nil ? p.data_entries[0][0] : ''
-              - $logger.debug "inspect c: #{c.inspect}\n"
               - case c
               - when /(0|false)/
                 - c = "non-carcinogen"
@@ -46,15 +46,17 @@
                 - c = "carcinogen"
               - else
                 - c = Array.new
-                - c[0] = (p.data_entries[0][0].class == Float) ? p.data_entries[0][0].round(3) : (p.data_entries[0][0] != nil ? p.data_entries[0][0] : "no value")
+                - c[0] = (p.data_entries[0][0].class == Float) ? p.data_entries[0][0].round(3) : (p.data_entries[0][0] != nil ? p.data_entries[0][0] : "no prediction")
               %td
                 %b{:class => "title"}
-                  = @@prediction_models[count].title.split(" ").first
-                %br
-                %br
-                  / classification, regression
-                  %b Type:
-                %br
+                  = @prediction_models[count].title.split(" ").first
+                - @model_uri = @prediction_models[count].uri
+                %p
+                / model type (classification|regression)
+                %b Type:
+                = @model_type[count]
+                %p
+                - unless database_hit > 0
                   %b Result:
                   %b{:class => c[0]}
                     - if c.class == String
@@ -76,18 +78,18 @@
                         %li a majority vote (weighted by compound similarity) for 
                         %em classification 
                         (
-                        %a{:href=>"http://www.in-silico.de/articles/modi020905.pdf"} original publication
+                        %a{:href=>"http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract", :target=>"_blank"} original publication
                         )
                         %li a local QSAR model based on neighbors for
                         %em regression
                         (
-                        %a{:href=>"http://www.in-silico.de/articles/mh_tf.pdf"} original publication
+                        %a{:href=>"http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract", :target=>"_blank"} original publication
                         )
                       Please keep in mind that predictions are based on the measured activities of neighbors.
-                %br
+                  %p
                   .confidence
                     %b Confidence:
-                    = p.data_entries[0][1] != nil ? p.data_entries[0][1].round(3) : ""
+                    = p.data_entries[0][1] != nil ? p.data_entries[0][1].round(3) : "-"
                     / title must be empty for tooltip
                     %a{:href=>"#confidence", :title=>"", :id=>"confidence"}
                       %img{:src=>"/images/info_white.png"}
@@ -101,20 +103,65 @@
                         Confidence values may take any value between 0 and 1.
                         For most models confidence > 0.025 is a sensible (hard) cutoff to distiguish between 
                         reliable and unreliable predictions.
-                  %br
-                %a{:href=> "#tabs", :id=>"link#{count}"}
-                  %img{:src=>"/images/arrow_down_float.png", :alt=>"v"}
-                  :javascript
-                    $("a#link#{count}").click(function () {
-                      $(".results").show();
-                      document.getElementById('tabs').focus();
-                      $("#tabs").tabs({ active: "#{count}" });
-                    });
-              - count+=1
-  
-  - if @@neighbors_available > 1
-    = haml :neighbors, :layout => false
-  - else
-    %h2
-      no neighbors available
-%iframe{:id=>"iframe_overview", :name=>"details_overview", :height=>"90%", :width=>"90%", :style=>"display:none;border:0px"}
+                  %p
+                  /TODO add tooltip for significant ftagments and descriptors
+                  - if @model_type[count] =~ /classification/i
+                    / Significant fragments:
+                    %a{:href => to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[count]}/#{CGI.escape(@compound.uri)}/fingerprints"), :id=>"linkPredictionSf", :target=>"details_overview"}Significant fragments
+                    :javascript
+                      $(function() {
+                        $("a#linkPredictionSf").on('click', function(e) {
+                          $('#iframe_overview').bPopup();
+                        });
+                      });
+                  - if @model_type[count] =~ /regression/i
+                    / Descriptors
+                    %a{:href => to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[count]}/#{CGI.escape(@compound.uri)}/fingerprints"), :id=>"linkPredictionSf", :target=>"details_overview"} Descriptors
+                    :javascript
+                      $(function() {
+                        $("a#linkPredictionSf").on('click', function(e) {
+                          $('#iframe_overview').bPopup();
+                        });
+                      });
+                  / title must be empty for tooltip
+                  -#%a{:href =>"#sfragments", :title=>"", :id=>"sfragments"}
+                    %img{:src=>"/images/info_white.png"}
+                  -#.tooltip{:style=>"font-weight: normal; font-size: 1em; width: 50%; text-align: left;"}
+                    %dt
+                      Significant fragments
+                    %dd
+                      Significant fragments are solely used to determine activity specific similarities of neighbors.
+                  %p
+                  %b Neighbors:
+                  %a{:href=> "#tabs", :id=>"link#{count}"}
+                    %img{:src=>"/images/arrow_down_float.png", :alt=>"v"}
+                    :javascript
+                      $("a#link#{count}").click(function () {
+                        $(".results").show();
+                        document.getElementById('tabs').focus();
+                        $("#tabs").tabs({ active: "#{count}" });
+                      });
+                  %p
+                  - count+=1
+                - else # database hit
+                  %b Database hit: 
+                  %br Compound found in training dataset
+                  %p
+                  %b Measured activity:
+                  = p.data_entries[0][2]
+                  %p
+                  %b Neighbors:
+                  %a{:href=> "#tabs", :id=>"link#{count}"}
+                    %img{:src=>"/images/arrow_down_float.png", :alt=>"v"}
+                    :javascript
+                      $("a#link#{count}").click(function () {
+                        $(".results").show();
+                        document.getElementById('tabs').focus();
+                        $("#tabs").tabs({ active: "#{count}" });
+                      });
+                    
+                  - count+=1
+
+  / always show the neighbors table, message is given there  
+  = haml :neighbors, :layout => false, :model_type => @model_type
+%iframe{:id=>"iframe_overview", :name=>"details_overview", :height=>"95%", :width=>"95%", :style=>"display:none;border:0px"}
diff --git a/views/significant_fragments.haml b/views/significant_fragments.haml
new file mode 100644
index 0000000..7d342d0
--- /dev/null
+++ b/views/significant_fragments.haml
@@ -0,0 +1,63 @@
+%link{ :href=>"/stylesheets/screen.css", :media=>"screen, projection", :rel=>"stylesheet", :type=>"text/css"}
+/TODO put smiles in div if compound image is not available, prevent overlay to table
+.content
+  %button{:id=>"closebutton", :onclick=>"parent.$('#iframe_details').bPopup().close();parent.$('#iframe_overview').bPopup().close();"}
+    X
+- if @type =~ /classification/i
+  .significant_fragments{:style=>"padding:0.5em;min-height:400px"}
+    %h2{:style=>"margin:0px;margin-left:8px;"}
+      Significant fragments:
+
+    %img{:src=>"#{@compound.uri}/image", :alt=>"#{@compound.smiles}", :title=>"#{@compound.smiles}", :width=>"300px", :heigth=>"300px"}
+    - if !@significant_fragments.empty?
+      %table{:id => "sf1"}
+        %tr
+          %th{:style=>"border:1px solid;"}
+            Predominantly in compounds with activity "non-carcinogen"
+          %th{:style=>"border:1px solid;"}
+            p value
+          - @significant_fragments.each do |fragments|
+            / fragments == [1||2, smarts, pValue]
+            - if fragments[0] == 1
+              %tr
+                %td
+                  = fragments[1]
+                %td
+                  = fragments[2]
+        %tr
+          %td
+            %br
+        %tr
+          %th{:style=>"border:1px solid;"}
+            Predominantly in compounds with activity "carcinogen"   
+          %th{:style=>"border:1px solid;"}
+            p value
+          - @significant_fragments.each do |fragments|
+            / fragments == [1||2, smarts, pValue]
+            - if fragments[0] == 2
+              %tr
+                %td
+                  = fragments[1]
+                %td
+                  = fragments[2]
+
+- if @type =~ /regression/i
+  .descriptors{:style=>"padding:0.5em;min-height:400px"}
+    %h2{:style=>"margin:0px;margin-left:8px;"}
+      Descriptors:
+
+    %img{:src=>"#{@compound.uri}/image", :alt=>"#{@compound.smiles}", :title=>"#{@compound.smiles}", :width=>"300px", :heigth=>"300px"}
+    - if !@significant_fragments.empty?
+      %table{:id => "sf2"}
+        %tr
+          %th{:style=>"border:1px solid;"}
+            Descriptor
+          %th{:style=>"border:1px solid;"}
+            value
+          - @significant_fragments.each do |fragments|
+            %tr
+              %td
+                = fragments[0]
+              %td
+                = fragments[1][0].round(3)
+