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QSAR-assisted-MMPA to expand chemical transformation space for lead optimization.
Li Fu
Zi-Yi Yang
Zhi-Jiang Yang
Ming-Zhu Yin
Ai-Ping Lu
Xiang Chen
Shao Liu
Tingjun Hou
Dong-Sheng Cao
Published in:
Briefings Bioinform. (2021)
Keyphrases
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drug discovery
global optimization
search space
optimization algorithm
vector space
optimal design
optimization problems
optimization process
higher dimensional
databases
genetic algorithm
similarity measure
optimization method
linear transformation
transformation rules
drug design