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hERG blocking potential of acids and zwitterions characterized by three thresholds for acidity,size and reactivity |
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| Institution: | 1. CQE—Centro de Química Estrutural, Complexo I, IST, Universidade de Lisboa, 1049-001 Lisboa, Portugal;1. Medicinal Chemistry Research Laboratories II, Mitsubishi Tanabe Pharma Corporation, Toda, Saitama 335-8505, Japan;2. Medicinal Chemistry Research Laboratories II, Mitsubishi Tanabe Pharma Corporation, Yokohama, Kanagawa 227-0033, Japan |
| Abstract: | |
| Keywords: | hERG Ionization Acid Zwitterion Decision tree QSAR |
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