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

6 files changed, 330 insertions, 143 deletions

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)
+