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OptiMol: Optimization of Binding Affinities in Chemical Space for Drug Discovery.
Jacques Boitreaud
Vincent Mallet
Carlos G. Oliver
Jérôme Waldispühl
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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drug discovery
chemical compounds
virtual screening
early stage
pharmaceutical industry
systems biology
data mining
scientific data
biological systems
pairwise
high throughput
database
machine learning
preprocessing