diff options
author | gebele <gebele@in-silico.ch> | 2015-10-29 18:20:39 +0000 |
---|---|---|
committer | gebele <gebele@in-silico.ch> | 2015-10-29 18:20:39 +0000 |
commit | efd241beab11fbfc200f0c32ffb9e198ed406c83 (patch) | |
tree | 71537f1341066f44ef2bbb6f65211e825bade68d /views | |
parent | 95236e48e8a1da009e6b5ab1789f0de37dde36f5 (diff) |
added mg/kg_bw/day
Diffstat (limited to 'views')
-rw-r--r-- | views/batch.haml | 5 | ||||
-rw-r--r-- | views/neighbors.haml | 6 | ||||
-rw-r--r-- | views/prediction.haml | 6 |
3 files changed, 10 insertions, 7 deletions
diff --git a/views/batch.haml b/views/batch.haml index ec987c4..f593188 100644 --- a/views/batch.haml +++ b/views/batch.haml @@ -18,6 +18,7 @@ / key = compound, values = array of arrays with model, prediction - @batch.each do |key, values| - compound = key + - mw = compound.molecular_weight %tr %td{:style=>"vertical-align:top;"} %p= compound.svg @@ -34,7 +35,7 @@ %p / TODO fix scientific notation from database %b Measured activity: - = prediction[:value].numeric? ? "#{prediction[:value].round(3)} (#{model.unit})" : prediction[:value] + = prediction[:value].numeric? ? "#{'%.2e' % prediction[:value]} (#{model.unit}) | #{'%.2e' % compound.mmol_to_mg(prediction[:value], mw)} (mg/kg_bw/day)" : prediction[:value] %p Compound is part of the training dataset - elsif prediction[:neighbors].size > 0 %p @@ -44,7 +45,7 @@ %br %b Prediction: / TODO scientific notation - = prediction[:value].numeric? ? "#{'%.2e' % prediction[:value]} (#{model.unit})" : prediction[:value] + = prediction[:value].numeric? ? "#{'%.2e' % prediction[:value]} (#{model.unit}) | #{'%.2e' % compound.mmol_to_mg(prediction[:value], mw)} (mg/kg_bw/day)" : prediction[:value] %br / TODO probability %b Confidence: diff --git a/views/neighbors.haml b/views/neighbors.haml index a741b45..4a1f3ea 100644 --- a/views/neighbors.haml +++ b/views/neighbors.haml @@ -65,9 +65,11 @@ /%a.btn.btn-link{:href => "#details#{j+1}", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(neighbor[0].to_s)}/details"), :id=>"link#{j+1}#{count}"}} %p= Compound.find(neighbor[0]).svg %p= Compound.find(neighbor[0]).smiles + - c = Compound.find(neighbor[0]) + - mw = c.molecular_weight / Measured Activity - %td{:style =>"vertical-align:middle;padding-left:1em;width:20%;"} - = (type == "Regression") ? neighbor[2].collect{|n| '%.2e' % n + " (#{@models[j].unit})"}.join("</br>") : neighbor[2].join(", ") + %td{:style =>"vertical-align:middle;padding-left:1em;width:20%;white-space:nowrap;"} + = (type == "Regression") ? neighbor[2].collect{|n| weight = c.mmol_to_mg(n, mw); '%.2e' % n + " (#{@models[j].unit})"+"|#{'%.2e' % weight} (mg/kg_bw/day)"}.join("</br>") : neighbor[2].join(", ") / Similarity %td{:style =>"vertical-align:middle;padding-left:1em;width:20%;"} / TODO differentiate between no neighbors found and compound found in dataset, display neighbors for compounds in dataset? diff --git a/views/prediction.haml b/views/prediction.haml index ef0c5db..11d542e 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| @@ -32,7 +33,7 @@ %p / TODO fix scientific notation from database %b Measured activity: - = (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], mw)} (mg/kg_bw/day)" : prediction[:value] %p Compound is part of the training dataset - elsif prediction[:neighbors].size > 0 %p @@ -41,8 +42,7 @@ = 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], mw)} (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 <ul><li>a majority vote (weighted by compound similarity) for<br /><b>classification</b> (<a href='http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract', target='_blank'>original publication</a>) </li><li>a local QSAR model based on neighbors for<br /><b>regression</b> (<a href='http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract', target='_blank'</h>original publication</a>) </li></ul>Please keep in mind that predictions are based on the measured activities of neighbors."}} %br |