Combining machine‐learning and molecular‐modeling methods for drug‐target affinity predictions
Author:
Affiliation:
1. Life Sciences Department Barcelona Supercomputing Center (BSC) Barcelona Spain
2. Nostrum Biodiscovery (NBD) Barcelona Spain
3. Data Science Department, Almirall S.A., Sant Feliu de Llobregat Barcelona Spain
4. ICREA Barcelona Spain
Funder
Ministerio de Ciencia, Innovación y Universidades
Publisher
Wiley
Subject
Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1653
Reference77 articles.
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5. Deep learning approaches in predicting ADMET properties;Cáceres EL;Future Med Chem,2020
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