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Code for "Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks" (https://doi.org/10.1021/acsomega.2c00697)

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Solubility_Prediction_GCN

Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks

https://doi.org/10.1021/acsomega.2c00697

Sumin Lee+, Myeonghun Lee+, Ki-Won Gyak, Sung Dug Kim, Mi-Jeong Kim*, and Kyoungmin Min*

ACS Omega

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Code for "Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks" (https://doi.org/10.1021/acsomega.2c00697)

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  • Python 98.6%
  • Shell 1.4%