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MoleculeKit: Machine Learning Methods for Molecular Property Prediction and Drug Discovery.
Zhengyang Wang
Meng Liu
Youzhi Luo
Zhao Xu
Yaochen Xie
Limei Wang
Lei Cai
Shuiwang Ji
Published in:
CoRR (2020)
Keyphrases
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drug discovery
drug design
subcellular localization
virtual screening
early stage
chemical compounds
quantitative structure activity
pharmaceutical industry
scientific data
biological systems
data mining tools
discovery process
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database systems
databases
systems biology
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