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Updated: Jul 10, 2025

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
00:05

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox

Published on: August 28, 2019

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基于量子人工神经网络算法的hERG通道阻断器的高预测性3D-QSAR模型的推导

Taeho Kim1, Kee-Choo Chung1, Hwangseo Park1

  • 1Department of Bioscience and Biotechnology, Sejong University, 209 Neungdong-ro, Kwangjin-gu, Seoul 05006, Republic of Korea.

Pharmaceuticals (Basel, Switzerland)
|November 25, 2023
PubMed
概括

新的定量结构-活性关系 (QSAR) 模型预测hERG通道抑制,这是药物心脏毒性的关键因素. 这些模型使用3D静电潜力和高级对齐来有效地虚拟选候选药物.

关键词:
3D-QSAR 是一个3D-QSAR.人工神经网络的人工神经网络对于hERG通道阻断器来说,这是非常重要的.分子ESP描述器分子ESP描述器结构对齐结构对齐

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Automated Contraction Analysis of Human Engineered Heart Tissue for Cardiac Drug Safety Screening10:39

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