Original paper
Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
Abstract
Deep learning is currently the most successful machine learning technique in a wide range of application areas and has recently been applied successfully in drug discovery research to predict potential drug targets and to screen for active molecules. However, due to (1) the lack of large-scale studies, (2) the compound series bias that is characteristic of drug discovery datasets and (3) the hyperparameter selection bias that comes with the high...
Paper Details
Title
Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
Published Date
Jan 1, 2018
Journal
Volume
9
Issue
24
Pages
5441 - 5451
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Notes
History