From 1d6588b35b4ffff16717e24b42a0d396d5347f95 Mon Sep 17 00:00:00 2001 From: gebele Date: Tue, 26 Jan 2016 12:53:40 +0000 Subject: batch merge --- views/prediction.haml | 14 +++++++++----- 1 file changed, 9 insertions(+), 5 deletions(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index ef0c5db..33e9ec5 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -18,6 +18,7 @@ %td{:id=>"compound", :style=>"vertical-align:top;"} %p= @compound.svg %p= @compound.smiles + -#- mw = @compound.molecular_weight - @model_types = {} - @dbhit = {} - @predictions.each_with_index do |prediction,i| @@ -30,10 +31,14 @@ - if prediction[:confidence] == "measured" - @dbhit[i] = true %p - / TODO fix scientific notation from database %b Measured activity: - = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{@models[i].unit})" : prediction[:value] - %p Compound is part of the training dataset + - p prediction[:value] + - if prediction[:value].is_a?(Array) + = (type == "Regression") ? prediction[:value].collect{|v| weight = Compound.from_smiles(@compound.smiles).mmol_to_mg(v); '%.2e' % v + " (#{@models[i].unit})"+"|#{'%.2e' % weight} (mg/kg_bw/day)"}.join("
") : prediction[:value].join(", ") + - else + = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{@models[i].unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} (mg/kg_bw/day)" : prediction[:value] + %p + %b Compound is part of the training dataset - elsif prediction[:neighbors].size > 0 %p / model type (classification|regression) @@ -41,8 +46,7 @@ = type %br %b Prediction: - / TODO scientific notation - = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{@models[i].unit})" : prediction[:value] + = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{@models[i].unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} (mg/kg_bw/day)" : prediction[:value] / TODO update description / %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", data: {toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} %br -- cgit v1.2.3 From 510822b13d48344ffe4e047a4415ebdb218dadc0 Mon Sep 17 00:00:00 2001 From: gebele Date: Thu, 24 Mar 2016 19:41:37 +0000 Subject: updated for latest lazar changes; introduced 95% prediction interval --- views/prediction.haml | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index 33e9ec5..aeaafdc 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -18,7 +18,7 @@ %td{:id=>"compound", :style=>"vertical-align:top;"} %p= @compound.svg %p= @compound.smiles - -#- mw = @compound.molecular_weight + - mw = @compound.molecular_weight - @model_types = {} - @dbhit = {} - @predictions.each_with_index do |prediction,i| @@ -51,8 +51,13 @@ / %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", data: {toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} %br / TODO probability - %b Confidence: - = prediction[:confidence].round(2) + - if type == "Regression" + %b 95% Prediction interval: + - interval = prediction[:prediction_interval].collect{|i| i.round(2)} + = interval + - else + %b Confidence: + = prediction[:confidence].round(2) unless prediction[:confidence].nil? / %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Confidence", data: {toggle:"popover", placement:"left", html:"true", content:"Indicates the applicability domain of a model. Predictions with a high confidence can be expected to be more reliable than predictions with low confidence. Confidence values may take any value between 0 and 1. For most models confidence > 0.025 is a sensible (hard) cutoff to distinguish between reliable and unreliable predictions."}} %p /TODO add tooltip for significant ftagments and descriptors -- cgit v1.2.3 From d70373fb5a35740f1246d9a37ce1567e899c8a1a Mon Sep 17 00:00:00 2001 From: gebele Date: Thu, 31 Mar 2016 10:53:45 +0200 Subject: catch empty pred interval --- views/prediction.haml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index aeaafdc..f99df75 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -53,7 +53,7 @@ / TODO probability - if type == "Regression" %b 95% Prediction interval: - - interval = prediction[:prediction_interval].collect{|i| i.round(2)} + - interval = prediction[:prediction_interval].nil? ? "[ - - ]" : prediction[:prediction_interval].collect{|i| i.round(2)} = interval - else %b Confidence: -- cgit v1.2.3 From df8ed98fcc052da2641c26897a8dd0592f274e53 Mon Sep 17 00:00:00 2001 From: gebele Date: Fri, 15 Apr 2016 09:59:43 +0000 Subject: reactivated info buttons; changed unit for fish; introduced FAQ --- views/prediction.haml | 23 +++++++++++++---------- 1 file changed, 13 insertions(+), 10 deletions(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index f99df75..89c33d6 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -24,6 +24,7 @@ - @predictions.each_with_index do |prediction,i| - type = @models[i].model.class.to_s.match("Classification") ? "Classification" : "Regression" - @model_types[i] = type + - unit = @models[i].unit %td{:style=>"vertical-align:top;white-space:nowrap;"} %b{:class => "title"} = "#{@models[i].endpoint.gsub('_', ' ')} (#{@models[i].species})" @@ -34,9 +35,9 @@ %b Measured activity: - p prediction[:value] - if prediction[:value].is_a?(Array) - = (type == "Regression") ? prediction[:value].collect{|v| weight = Compound.from_smiles(@compound.smiles).mmol_to_mg(v); '%.2e' % v + " (#{@models[i].unit})"+"|#{'%.2e' % weight} (mg/kg_bw/day)"}.join("
") : prediction[:value].join(", ") + = (type == "Regression") ? prediction[:value].collect{|v| weight = Compound.from_smiles(@compound.smiles).mmol_to_mg(v); '%.2e' % v + " (#{unit})"+"|#{'%.2e' % weight} #{unit == "mmol/L" ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("
") : prediction[:value].join(", ") - else - = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{@models[i].unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} (mg/kg_bw/day)" : prediction[:value] + = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] %p %b Compound is part of the training dataset - elsif prediction[:neighbors].size > 0 @@ -46,27 +47,29 @@ = type %br %b Prediction: - = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{@models[i].unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} (mg/kg_bw/day)" : prediction[:value] - / TODO update description - / %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", data: {toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} + = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] + / tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF. + %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} %br - / TODO probability - if type == "Regression" %b 95% Prediction interval: - interval = prediction[:prediction_interval].nil? ? "[ - - ]" : prediction[:prediction_interval].collect{|i| i.round(2)} - = interval + = "[#{interval[0]} (#{unit}), #{interval[1]} (#{unit})]" + / prediction intervall popover + %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction intervall", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"A prediction interval (wikipedia) is an estimate of an interval in which future observations will fall, with a certain probability, given what has already been observed."}} - else %b Confidence: = prediction[:confidence].round(2) unless prediction[:confidence].nil? - / %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Confidence", data: {toggle:"popover", placement:"left", html:"true", content:"Indicates the applicability domain of a model. Predictions with a high confidence can be expected to be more reliable than predictions with low confidence. Confidence values may take any value between 0 and 1. For most models confidence > 0.025 is a sensible (hard) cutoff to distinguish between reliable and unreliable predictions."}} + / confidence popover + %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Confidence", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"Indicates the applicability domain of a model. Predictions with a high confidence can be expected to be more reliable than predictions with low confidence. Confidence values may take any value between 0 and 1. For most models confidence > 0.025 is a sensible (hard) cutoff to distinguish between reliable and unreliable predictions."}} %p /TODO add tooltip for significant ftagments and descriptors / - if @model_type[i] =~ /classification/i && (p.data_entries[0][1] != nil && p.data_entries[0][1] != 0.0) / Significant fragments: - / %a.btn.btn-default.btn-sm{:id=>"linkSigFragments", :href => "#detailsTop", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[i]}/#{CGI.escape(@compound.uri)}/fingerprints")}} Significant fragments + / %a.btn.btn-default.btn-sm{:id=>"linkSigFragments", :href => "#detailsTop", :tabindex=>"0", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[i]}/#{CGI.escape(@compound.uri)}/fingerprints")}} Significant fragments / - if @model_type[i] =~ /regression/i && (p.data_entries[0][1] != nil && p.data_entries[0][1] != 0.0) / Descriptors - / %a.btn.btn-default.btn-sm{:id=>"linkDescriptors", :href => "#detailsTop", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[i]}/#{CGI.escape(@compound.uri)}/fingerprints")}} Descriptors + / %a.btn.btn-default.btn-sm{:id=>"linkDescriptors", :href => "#detailsTop", :tabindex=>"0", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(@model_uri)}/#{@model_type[i]}/#{CGI.escape(@compound.uri)}/fingerprints")}} Descriptors / %p %p - else -- cgit v1.2.3 From 512458e2489c8cc12a9d539d8895c1802d7b081a Mon Sep 17 00:00:00 2001 From: gebele Date: Wed, 20 Apr 2016 14:12:03 +0000 Subject: adopted changes from CH on the master branch --- views/prediction.haml | 1 + 1 file changed, 1 insertion(+) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index 89c33d6..4a2877e 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -49,6 +49,7 @@ %b Prediction: = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] / tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF. + / prediction popover %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} %br - if type == "Regression" -- cgit v1.2.3 From 7759519665408673e2ab1bfd8d32a84168c2ee34 Mon Sep 17 00:00:00 2001 From: gebele Date: Wed, 20 Apr 2016 14:39:22 +0000 Subject: adjusted prediction intervall info; units ; depiction --- views/prediction.haml | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index 4a2877e..5265504 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -47,7 +47,7 @@ = type %br %b Prediction: - = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] + = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{unit}) , #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] / tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF. / prediction popover %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} @@ -55,9 +55,10 @@ - if type == "Regression" %b 95% Prediction interval: - interval = prediction[:prediction_interval].nil? ? "[ - - ]" : prediction[:prediction_interval].collect{|i| i.round(2)} - = "[#{interval[0]} (#{unit}), #{interval[1]} (#{unit})]" + %br + = "[#{interval[0]} - #{interval[1]}] (#{unit}), [#{'%.2e' % @compound.mmol_to_mg(interval[0])} - #{'%.2e' % @compound.mmol_to_mg(interval[1])}] (mg/L)" / prediction intervall popover - %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction intervall", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"A prediction interval (wikipedia) is an estimate of an interval in which future observations will fall, with a certain probability, given what has already been observed."}} + %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction intervall", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"An estimate of prediction uncertainty. The \"real\" value should be with 95% probability within the prediction interval."}} - else %b Confidence: = prediction[:confidence].round(2) unless prediction[:confidence].nil? -- cgit v1.2.3 From b8d1ce9a588534e1a92bd4461c94b97b6269291c Mon Sep 17 00:00:00 2001 From: gebele Date: Thu, 21 Apr 2016 08:18:51 +0000 Subject: removed brackets --- views/prediction.haml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index 5265504..d8312bb 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -50,13 +50,13 @@ = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{unit}) , #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] / tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF. / prediction popover - %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} + %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"Lazar calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. Lazar calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} %br - if type == "Regression" %b 95% Prediction interval: - - interval = prediction[:prediction_interval].nil? ? "[ - - ]" : prediction[:prediction_interval].collect{|i| i.round(2)} + - interval = prediction[:prediction_interval].nil? ? " - - " : prediction[:prediction_interval].collect{|i| i.round(2)} %br - = "[#{interval[0]} - #{interval[1]}] (#{unit}), [#{'%.2e' % @compound.mmol_to_mg(interval[0])} - #{'%.2e' % @compound.mmol_to_mg(interval[1])}] (mg/L)" + = "#{interval[0]} - #{interval[1]} (#{unit}), #{'%.2e' % @compound.mmol_to_mg(interval[0])} - #{'%.2e' % @compound.mmol_to_mg(interval[1])} (mg/L)" / prediction intervall popover %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction intervall", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"An estimate of prediction uncertainty. The \"real\" value should be with 95% probability within the prediction interval."}} - else -- cgit v1.2.3 From 1a09ee962a769dfe2ef49dcd6fb865381c221788 Mon Sep 17 00:00:00 2001 From: gebele Date: Thu, 21 Apr 2016 10:29:52 +0000 Subject: updated prediction info --- views/prediction.haml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index d8312bb..709e17e 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -50,7 +50,7 @@ = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{unit}) , #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] / tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF. / prediction popover - %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"Lazar calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. Lazar calculates predictions using Please keep in mind that predictions are based on the measured activities of neighbors."}} + %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"

Lazar searches the training dataset for similar compounds (neighbors) and calculates the prediction from their experimental activities.

Classification:
Majority vote of neighbor activities weighted by similarity.

Regression:
Prediction from a local partial least squares regression model with neighbor activities weighted by similarity.

Original publication."}} %br - if type == "Regression" %b 95% Prediction interval: -- cgit v1.2.3 From b3fffd49c61745e953415c50084fee900d8029e9 Mon Sep 17 00:00:00 2001 From: gebele Date: Thu, 21 Apr 2016 13:45:20 +0000 Subject: fixed neighbors table; bg-color predictions due to safari; disabled neighbors sort option; enabled table header info icons --- views/prediction.haml | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index 709e17e..0f3d57b 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -12,7 +12,7 @@ / displays all prediction result in first table %h3 Prediction Results: %div.table-responsive - %table.table.table-bordered{:id=>"overview", :style=>"background-color:white;"} + %table.table.table-bordered{:id=>"overview"} %tbody %tr %td{:id=>"compound", :style=>"vertical-align:top;"} @@ -35,9 +35,9 @@ %b Measured activity: - p prediction[:value] - if prediction[:value].is_a?(Array) - = (type == "Regression") ? prediction[:value].collect{|v| weight = Compound.from_smiles(@compound.smiles).mmol_to_mg(v); '%.2e' % v + " (#{unit})"+"|#{'%.2e' % weight} #{unit == "mmol/L" ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("
") : prediction[:value].join(", ") + = (type == "Regression") ? prediction[:value].collect{|v| weight = Compound.from_smiles(@compound.smiles).mmol_to_mg(v); '%.2e' % v + " (#{unit})"+", #{'%.2e' % weight} #{unit == "mmol/L" ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("
") : prediction[:value].join(", ") - else - = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{unit}) | #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] + = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{unit}), #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] %p %b Compound is part of the training dataset - elsif prediction[:neighbors].size > 0 @@ -50,13 +50,13 @@ = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{unit}) , #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] / tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF. / prediction popover - %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"

Lazar searches the training dataset for similar compounds (neighbors) and calculates the prediction from their experimental activities.

Classification:
Majority vote of neighbor activities weighted by similarity.

Regression:
Prediction from a local partial least squares regression model with neighbor activities weighted by similarity.

Original publication."}} + %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"

lazar searches the training dataset for similar compounds (neighbors) and calculates the prediction from their experimental activities.

Classification:
Majority vote of neighbor activities weighted by similarity.

Regression:
Prediction from a local partial least squares regression model with neighbor activities weighted by similarity.

Original publication."}} %br - if type == "Regression" %b 95% Prediction interval: - interval = prediction[:prediction_interval].nil? ? " - - " : prediction[:prediction_interval].collect{|i| i.round(2)} %br - = "#{interval[0]} - #{interval[1]} (#{unit}), #{'%.2e' % @compound.mmol_to_mg(interval[0])} - #{'%.2e' % @compound.mmol_to_mg(interval[1])} (mg/L)" + = "#{interval[0]} - #{interval[1]} (#{unit}), #{'%.2e' % @compound.mmol_to_mg(interval[0])} - #{'%.2e' % @compound.mmol_to_mg(interval[1])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" / prediction intervall popover %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction intervall", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"An estimate of prediction uncertainty. The \"real\" value should be with 95% probability within the prediction interval."}} - else -- cgit v1.2.3 From f86c084311282036ffa7b4588c0fa0d5b59af95b Mon Sep 17 00:00:00 2001 From: gebele Date: Thu, 24 Nov 2016 16:03:09 +0000 Subject: several fixes; works with lazar tree e111369ce5564f159b3f5f85c92afdd22352eaa1 --- views/prediction.haml | 35 ++++++++++++++++++++++------------- 1 file changed, 22 insertions(+), 13 deletions(-) (limited to 'views/prediction.haml') diff --git a/views/prediction.haml b/views/prediction.haml index 0f3d57b..1aefe06 100644 --- a/views/prediction.haml +++ b/views/prediction.haml @@ -18,7 +18,6 @@ %td{:id=>"compound", :style=>"vertical-align:top;"} %p= @compound.svg %p= @compound.smiles - - mw = @compound.molecular_weight - @model_types = {} - @dbhit = {} - @predictions.each_with_index do |prediction,i| @@ -29,17 +28,20 @@ %b{:class => "title"} = "#{@models[i].endpoint.gsub('_', ' ')} (#{@models[i].species})" %p - - if prediction[:confidence] == "measured" + - if prediction[:warning] =~ /\b(identical)\b/i - @dbhit[i] = true %p + /TODO combine with regular view, if prediction value is present %b Measured activity: - p prediction[:value] - if prediction[:value].is_a?(Array) - = (type == "Regression") ? prediction[:value].collect{|v| weight = Compound.from_smiles(@compound.smiles).mmol_to_mg(v); '%.2e' % v + " (#{unit})"+", #{'%.2e' % weight} #{unit == "mmol/L" ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("
") : prediction[:value].join(", ") + = (type == "Regression") ? prediction[:value].collect{|value| "#{value} (#{unit}) , #{@compound.mmol_to_mg(value.delog10)} #{unit =~ /mmol\/L/ ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("
") : prediction[:value].join(", ") - else - = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{unit}), #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] + = (type == "Regression") ? "#{prediction[:value]} (#{unit}), #{@compound.mmol_to_mg(prediction[:value].delog10)} #{(unit =~ /\b(mol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] %p %b Compound is part of the training dataset + / warning popover + %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Warnings", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"#{prediction[:warning]}"}} - elsif prediction[:neighbors].size > 0 %p / model type (classification|regression) @@ -47,23 +49,30 @@ = type %br %b Prediction: - = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{unit}) , #{'%.2e' % @compound.mmol_to_mg(prediction[:value])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] - / tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF. / prediction popover %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"

lazar searches the training dataset for similar compounds (neighbors) and calculates the prediction from their experimental activities.

Classification:
Majority vote of neighbor activities weighted by similarity.

Regression:
Prediction from a local partial least squares regression model with neighbor activities weighted by similarity.

Original publication."}} %br + = (type == "Regression") ? "#{prediction[:value].delog10} (#{unit})
#{@compound.mmol_to_mg(prediction[:value].delog10)} #{(unit =~ /\b(mol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:value] + / tabindex=0 seems the best fix for FF|S browsers on OSX better than trigger="click focus" which ends up in double click for FF. + %br - if type == "Regression" %b 95% Prediction interval: - - interval = prediction[:prediction_interval].nil? ? " - - " : prediction[:prediction_interval].collect{|i| i.round(2)} - %br - = "#{interval[0]} - #{interval[1]} (#{unit}), #{'%.2e' % @compound.mmol_to_mg(interval[0])} - #{'%.2e' % @compound.mmol_to_mg(interval[1])} #{(unit == "mmol/L") ? "(mg/L)" : "(mg/kg_bw/day)"}" + - interval = (prediction[:prediction_interval].nil? ? ["- -","- -"] : prediction[:prediction_interval]) / prediction intervall popover %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction intervall", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"An estimate of prediction uncertainty. The \"real\" value should be with 95% probability within the prediction interval."}} + %br + = "#{interval[0].delog10} - #{interval[1].delog10} (#{unit})" + %br + = "#{@compound.mmol_to_mg(interval[0].delog10)} - #{@compound.mmol_to_mg(interval[1].delog10)} #{(unit =~ /\b(mol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" if !prediction[:prediction_interval].nil? - else - %b Confidence: - = prediction[:confidence].round(2) unless prediction[:confidence].nil? - / confidence popover - %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Confidence", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"Indicates the applicability domain of a model. Predictions with a high confidence can be expected to be more reliable than predictions with low confidence. Confidence values may take any value between 0 and 1. For most models confidence > 0.025 is a sensible (hard) cutoff to distinguish between reliable and unreliable predictions."}} + %b Probability: + - unless prediction[:probabilities].nil? + %br + = "#{prediction[:probabilities].keys[0]}: #{prediction[:probabilities].values[0]}" + %br + = "#{prediction[:probabilities].keys[1]}: #{prediction[:probabilities].values[1]}" + / probability popover + -#%a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Confidence", :tabindex=>"0", data: {trigger:"focus", toggle:"popover", placement:"left", html:"true", content:"Indicates the applicability domain of a model. Predictions with a high confidence can be expected to be more reliable than predictions with low confidence. Confidence values may take any value between 0 and 1. For most models confidence > 0.025 is a sensible (hard) cutoff to distinguish between reliable and unreliable predictions."}} %p /TODO add tooltip for significant ftagments and descriptors / - if @model_type[i] =~ /classification/i && (p.data_entries[0][1] != nil && p.data_entries[0][1] != 0.0) -- cgit v1.2.3