Multi-task learning with a natural metric for quantitative structure activity relationship learning

Multi-task learning with a natural metric for quantitative structure activity relationship learning

Abstract The goal of quantitative structure activity relationship (QSAR) learning is to learn a function that, given the structure of a small molecule (a potential drug), outputs the predicted activity of the compound. We employed multi-task learning (MTL) to exploit commonalities in drug targets an...

Full description

Bibliographic Details
Main Authors: Noureddin Sadawi, Ivan Olier, Joaquin Vanschoren, Jan N. van Rijn, Jeremy Besnard, Richard Bickerton, Crina Grosan, Larisa Soldatova, Ross D. King
Format: Article
Language:English
Published: BMC 2019-11-01
Series:Journal of Cheminformatics
Subjects:
Multi-task learning
Quantitative structure activity relationship
Sequence-based similarity
Random forest
Online Access:http://link.springer.com/article/10.1186/s13321-019-0392-1

Internet

http://link.springer.com/article/10.1186/s13321-019-0392-1

Similar Items