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Feature importance of machine learning prediction models shows structurally active part and important physicochemical features in drug design.
Sasahara, Katsunori; Shibata, Masakazu; Sasabe, Hiroyuki; Suzuki, Tomoki; Takeuchi, Kenji; Umehara, Ken; Kashiyama, Eiji.
Affiliation
  • Sasahara K; Tokushima Research Institute, Otsuka Pharmaceutical Co., Ltd., 463-10 Kagasuno, Kawauchi-cho, Tokushima, 771-0192, Japan. Electronic address: Sasahara.Katsunori@otsuka.jp.
  • Shibata M; Tokushima Research Institute, Otsuka Pharmaceutical Co., Ltd., 463-10 Kagasuno, Kawauchi-cho, Tokushima, 771-0192, Japan. Electronic address: Shibata.Masakazu@otsuka.jp.
  • Sasabe H; Tokushima Research Institute, Otsuka Pharmaceutical Co., Ltd., 463-10 Kagasuno, Kawauchi-cho, Tokushima, 771-0192, Japan. Electronic address: Sasabe.Hiroyuki@otsuka.jp.
  • Suzuki T; Tokushima Research Institute, Otsuka Pharmaceutical Co., Ltd., 463-10 Kagasuno, Kawauchi-cho, Tokushima, 771-0192, Japan. Electronic address: Suzuki.Tomoki@otsuka.jp.
  • Takeuchi K; Tokushima Research Institute, Otsuka Pharmaceutical Co., Ltd., 463-10 Kagasuno, Kawauchi-cho, Tokushima, 771-0192, Japan. Electronic address: Takeuchi.Kenji@otsuka.jp.
  • Umehara K; Tokushima Research Institute, Otsuka Pharmaceutical Co., Ltd., 463-10 Kagasuno, Kawauchi-cho, Tokushima, 771-0192, Japan. Electronic address: Umehara.Ken@otsuka.jp.
  • Kashiyama E; Tokushima Research Institute, Otsuka Pharmaceutical Co., Ltd., 463-10 Kagasuno, Kawauchi-cho, Tokushima, 771-0192, Japan. Electronic address: Kashiyama.Eiji@otsuka.jp.
Drug Metab Pharmacokinet ; 39: 100401, 2021 Aug.
Article in En | MEDLINE | ID: mdl-34089983
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Computer Simulation / Cytochrome P-450 Enzyme Inhibitors / Machine Learning Type of study: Prognostic_studies / Risk_factors_studies Limits: Humans Language: En Journal: Drug Metab Pharmacokinet Journal subject: FARMACOLOGIA / METABOLISMO Year: 2021 Type: Article
Fulltext
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Computer Simulation / Cytochrome P-450 Enzyme Inhibitors / Machine Learning Type of study: Prognostic_studies / Risk_factors_studies Limits: Humans Language: En Journal: Drug Metab Pharmacokinet Journal subject: FARMACOLOGIA / METABOLISMO Year: 2021 Type: Article