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Updated: Sep 9, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

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DualNetによる多成分医薬品固体の機械学習による発見:塩とコクリスタルの信頼性のある予測とランキング

Mohammad Amin Ghanavati1, Bahareh Khalili2, Dino Alberico2

  • 1Chemical and Biochemical Engineering, Western University, London, Ontario N6A 5B9, Canada.

International journal of pharmaceutics
|September 4, 2025
PubMed
まとめ

新しい DualNet Ensemble アルゴリズムを使用して,製薬塩とコクリスタル形成の予測が加速されています. この機械学習モデルは 複数の成分から成る固体を効率的に検出し 薬の開発効率を向上させます

キーワード:
信頼に基づくランキングデュアルネット・アンサンブル機械学習医薬品塩の共結晶の予測

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