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Chemical-Space-Based de Novo Design Method To Generate Drug-Like Molecules.
Shunichi Takeda
Hiromasa Kaneko
Kimito Funatsu
Published in:
J. Chem. Inf. Model. (2016)
Keyphrases
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case study
detection method
similarity measure
computational complexity
significant improvement
high accuracy
classification method
image sequences
prior knowledge
input data
support vector machine svm
parameter space