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Updated: Sep 29, 2026

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SMARTDock:バイオアクティビティデータを用いたターゲット固有のスコアリング機能の自動化開発のためのツールキット

Felipe Victoria-Muñoz1, Norberto Sanchez-Cruz2, Oliver Koch1,3

  • 1Institute of Pharmaceutical and Medicinal Chemistry, Universität Münster, Corrensstraße 48 48149, Münster, Germany.

Journal of chemical information and modeling
|January 5, 2026
PubMed
まとめ

No abstract available in PubMed .

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Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...