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Improved 3D-QSAR prediction by multiple-conformational alignment: A case study on PTP1B inhibitors.
Xiangyu Zhang
Jianping Mao
Wei Li
Kazuo Koike
Jian Wang
Published in:
Comput. Biol. Chem. (2019)
Keyphrases
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prediction algorithm
hiv protease
wet lab
prediction accuracy
data mining
fine grained
coarse grained
drug design