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OpenChem: A Deep Learning Toolkit for Computational Chemistry and Drug Design.
Maria Korshunova
Boris Ginsburg
Alexander Tropsha
Olexandr Isayev
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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deep learning
drug design
computational chemistry
unsupervised feature learning
unsupervised learning
protein structure prediction
protein protein interactions
machine learning
drug discovery
quantitative structure activity
weakly supervised
mental models
text mining
knowledge discovery