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QEX: target-specific druglikeness filter enhances ligand-based virtual screening |
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| Authors: | Mochizuki Masahiro Suzuki Shogo D. Yanagisawa Keisuke Ohue Masahito Akiyama Yutaka |
| Affiliation: | 1.IMSBIO, Co., Ltd, Owl tower 6F, 4-21-1, Higashi-ikebukuro, Toshima-ku, Tokyo, 170-0013, Japan ;2.School of Computing, Tokyo Institute of Technology, 2-12-1 W8-76, Ookayama, Meguro-ku, Tokyo, 152-8550, Japan ;3.Educational Academy of Computational Life Sciences (ACLS), Tokyo Institute of Technology, 2-12-1 W8-93, Ookayama, Meguro-ku, Tokyo, 152-8550, Japan ;4.Advanced Computational Drug Discovery Unit (ACDD), Institute of Innovative Research, Tokyo Institute of Technology, 4259 Nagatutacho, Midori-ku, Yokohama, Kanagawa, 226-8501, Japan ; |
| Abstract: | Molecular Diversity - Druglikeness is a useful concept for screening drug candidate compounds. We developed QEX, which is a new druglikeness index specific to individual targets. QEX is an... |
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