Building Machine Learning Models Using Data from BindingDB, Dr. Patrick Walters
Автор: Tiqing Liu
Загружено: 2026-02-26
Просмотров: 22
Описание:
In this recorded webinar, Pat Walters takes us through the theory and practice of using a Python script, running on Google Collab, to train and test a predictive model for ligand-binding to a selected protein target, using data from BindingDB.
BindingDB (www.bindingdb.org) is a massive public database of experimentally measured protein-ligand binding affinities, curated from patents and scientific articles. It is widely used to guide medicinal chemistry projects and to train and test physics-based and machine learning models. For more information, see https://doi.org/10.1093/nar/gkae1075
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