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Theoretical and Computational Chemistry

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intrinsic solubility

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2 results in Keywords: intrinsic solubility

Theoretical and Computational Chemistry

Machine Learning in Prediction of Intrinsic Aqueous Solubility of Drug-like Compounds: Generalization, Complexity or Predictive Ability?

Mario Lovric, Kristina Pavlović, Petar Žuvela, Adrian Spataru, Bono Lučić, Roman Kern, Richard Ming Wah Wong

Version 1 posted 04 August 2020

695

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Theoretical and Computational Chemistry

Prediction of intrinsic solubility for drug-like organic compounds using Automated Network Optimizer (ANO) for physicochemical feature and hyperparameter optimization

You Kyoung Chung, Seung Jin Lee, Junho Lee, Himchanvit Cho, Sung-Jin Kim, Joonsuk Huh

Version 1 posted 07 November 2024

221

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