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FaissMolLib: An efficient and easy deployable tool for ligand-based virtual screening.
Haihan Liu
Peiying Chen
Baichun Hu
Shizun Wang
Hanxun Wang
Jiasi Luan
Jian Wang
Bin Lin
Mao-Sheng Cheng
Published in:
Comput. Biol. Chem. (2024)
Keyphrases
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virtual screening
drug discovery
chemical structures
similarity searching
high throughput
binding sites
scoring function
data mining
nearest neighbor
graphical models