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Compound property enhancement by virtual compound synthesis

Arai, N; Yoshikawa, S; Yasuo, N; Yoshino, R; Sekijima, M

Sekijima, M (reprint author), Tokyo Inst Technol, Adv Computat Drug Discovery Unit, Midori Ku, 4259-J3-23 Nagatsuta Cho, Yokohama, Kanagawa 2268502, Japan.

JOURNAL OF BIOINFORMATICS AND COMPUTATIONAL BIOLOGY, 2018; 16 (3):

Abstract

During drug discovery, drug candidates are narrowed down over several steps to develop pharmaceutical products. The theoretical chemical space in such......

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