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June 11, 2024Open Access

Evaluation of Machine Learning Models for Aqueous Solubility Prediction in Drug Discovery

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NXNian XueYZYuzhu ZhangSLSensen Liu

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Xue et al. (2024) studied this question.

synapsesocial.com/papers/68e6543db6db6435875e3bd7https://doi.org/10.1101/2024.06.10.598383
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  1. 1A Unified Approach to Interpreting Model Predictions2017 · 7,625 citations
  2. 2Estimation of Aqueous Solubility for a Diverse Set of Organic Compounds Based on Molecular Topology2000 · 318 citations
  3. 3Deep Architectures and Deep Learning in Chemoinformatics: The Prediction of Aqueous Solubility for Drug-Like Molecules2013 · 576 citations
  4. 4Classification of Kinase Inhibitors Using BCUT Descriptors2000 · 61 citations
  5. 5Evaluation and Use of BCUT Descriptors in QSAR and QSPR Studies1998 · 108 citations