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Updated: Jun 28, 2025

Collecting Variable-concentration Isothermal Titration Calorimetry Datasets in Order to Determine Binding Mechanisms
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Collecting Variable-concentration Isothermal Titration Calorimetry Datasets in Order to Determine Binding Mechanisms

Published on: April 7, 2011

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顺序:化学反应数据的数据集和基准

Daniel S Wigh1, Joe Arrowsmith1, Alexander Pomberger1

  • 1Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge CB3 0AS, U.K.

Journal of chemical information and modeling
|April 22, 2024
PubMed
概括

我们介绍了ORDerly,这是一个开源的Python包,用于准备化学反应数据. 该工具确保了机器学习的可重复数据集,这对于推进药物发现和化学研究至关重要.

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