LogD7.4 Prediction Enhanced by Transferring Knowledge from Chromatographic Retention Time, Microscopic Pka and Logp.

Yitian Wang,Jiacheng Xiong,Fu Xiao,Wei Zhang,Kaiyang Cheng, Jingxin Rao,Buying Niu,Xiaochu Tong,Ning Qu,Runze Zhang,Dingyan Wang,Kaixian Chen,Xutong Li,Mingyue Zheng

Journal of cheminformatics（2023）

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logD7.4,Lipid solubility,Graph neural network,Molecular property prediction

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