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Ligand Based Virtual Screening of Molecular Compounds in Drug Discovery Using GCAN Fingerprint and Ensemble Machine Learning Algorithm.
R. Ani
O. S. Deepa
B. R. Manju
Published in:
Comput. Syst. Sci. Eng. (2023)
Keyphrases
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drug discovery
virtual screening
learning algorithm
chemical compounds
early stage
drug design
scientific data
machine learning
biological systems
supervised learning
systems biology
data mining
learning process
data management