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S2DV: converting SMILES to a drug vector for predicting the activity of anti-HBV small molecules.
Jinsong Shao
Qineng Gong
Zeyu Yin
Wenjie Pan
Sanjeevi Pandiyan
Li Wang
Published in:
Briefings Bioinform. (2022)
Keyphrases
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ligand docking
early stage
chemical compounds
pharmaceutical industry
feature vectors
real world
feature space
small number
high rate
virtual screening
computer vision
information systems
knowledge base
website
security protection