Additional file 1 of A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility

Tang, Bowen; Kramer, Skyler; Fang, Meijuan; Qiu, Yingkun; Wu, Zhen; Xu, Dong

doi:10.6084/m9.figshare.11887284.v1

13321_2020_414_MOESM1_ESM.docx (203.43 kB)

Additional file 1 of A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility

journal contribution

posted on 2020-02-22, 04:56 authored by Bowen Tang, Skyler Kramer, Meijuan Fang, Yingkun Qiu, Zhen Wu, Dong Xu

Additional file 1. The Supporting Information can be found in the supporting documents. The source code and the prepared datasets are available in the SAMPN Github repository (https://github.com/tbwxmu/SAMPN).

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National Institute of General Medical Sciences

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Message passing network Attention mechanism Deep learning Lipophilicity Aqueous solubility

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Additional file 1 of A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility

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National Institute of General Medical Sciences

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