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De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach.
Kentaro Kawai
Naoya Nagata
Yoshimasa Takahashi
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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genetic algorithm
user interface
building blocks
engineering design
neural network
case study
virtual screening
ligand docking
three dimensional
knowledge based systems
computer aided
design principles
design decisions
design tools
drug design