Machine learning and ligand binding predictions: A review of data, methods, and obstacles

Volume: 1864, Issue: 6, Pages: 129545 - 129545
Published: Jun 1, 2020
Abstract
Computational predictions of ligand binding is a difficult problem, with more accurate methods being extremely computationally expensive. The use of machine learning for drug binding predictions could possibly leverage the use of biomedical big data in exchange for time-intensive simulations. This paper reviews current trends in the use of machine learning for drug binding predictions, data sources to develop machine learning algorithms, and...
Paper Details
Title
Machine learning and ligand binding predictions: A review of data, methods, and obstacles
Published Date
Jun 1, 2020
Volume
1864
Issue
6
Pages
129545 - 129545
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