<p>Accuracy, F-measure (F1 Score), precision, recall, correlation coefficient (C.C.), and area under the receiver operating characteristic curve (AUC) of classification for the multi-interface versus singlish-interface dataset are presented. Accuracy and F-measure are reported in percentage. For each machine learning approach, values of k ranged from 1 to 4. Only the classifier with the best performing k-value (as defined by highest correlation coefficient) is shown. Our methods were estimated by cross-validation. The highest performing value(s) for each performance measure is highlighted in bold.</p
<div><p>The estimation of prediction quality is important because without quality measures, it is di...
International audienceBackground: State-of-the-art protein-ligand docking methods are generally limi...
<p>For each method, the accuracy, the sensitivity, the specificity and the Matthews correlation coef...
<p>Accuracy, F-measure (F1 Score), precision, recall, correlation coefficient (C.C.), and area under...
It has recently been claimed that the outstanding performance of machine-learning scoring functions ...
In recent years, machine learning has been proposed as a promising strategy to build accurate scorin...
International audienceDocking tools to predict whether and how a small molecule binds to a target ca...
<p>Validation data included the 1300 protein-ligand complexes of PDBbind version 2007. Values were t...
*<p>Comparison of AUC and accuracy when the classifier was 10-fold cross-validated on all the peptid...
<p>Performance on the benchmark training dataset was evaluated based on AUC, MCC, Accuracy, Specific...
Machine learning scoring functions for protein-ligand binding affinity prediction have been found to...
Motivation: Accurately predicting the binding affinities of large sets of diverse protein-ligand com...
<p>(<b>a</b>) Prediction performance of the classifier at individual level (PAM; P<i>i</i> indicates...
Feed forward neural networks are compared with standard and new statistical classification procedure...
The estimation of prediction quality is important because without quality measures, it is difficult ...
<div><p>The estimation of prediction quality is important because without quality measures, it is di...
International audienceBackground: State-of-the-art protein-ligand docking methods are generally limi...
<p>For each method, the accuracy, the sensitivity, the specificity and the Matthews correlation coef...
<p>Accuracy, F-measure (F1 Score), precision, recall, correlation coefficient (C.C.), and area under...
It has recently been claimed that the outstanding performance of machine-learning scoring functions ...
In recent years, machine learning has been proposed as a promising strategy to build accurate scorin...
International audienceDocking tools to predict whether and how a small molecule binds to a target ca...
<p>Validation data included the 1300 protein-ligand complexes of PDBbind version 2007. Values were t...
*<p>Comparison of AUC and accuracy when the classifier was 10-fold cross-validated on all the peptid...
<p>Performance on the benchmark training dataset was evaluated based on AUC, MCC, Accuracy, Specific...
Machine learning scoring functions for protein-ligand binding affinity prediction have been found to...
Motivation: Accurately predicting the binding affinities of large sets of diverse protein-ligand com...
<p>(<b>a</b>) Prediction performance of the classifier at individual level (PAM; P<i>i</i> indicates...
Feed forward neural networks are compared with standard and new statistical classification procedure...
The estimation of prediction quality is important because without quality measures, it is difficult ...
<div><p>The estimation of prediction quality is important because without quality measures, it is di...
International audienceBackground: State-of-the-art protein-ligand docking methods are generally limi...
<p>For each method, the accuracy, the sensitivity, the specificity and the Matthews correlation coef...