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Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms Journal article
Ye, Zhuyifan, Ouyang, Defang. Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms[J]. Journal of Cheminformatics, 2021, 13(1), 98.
Authors:  Ye, Zhuyifan;  Ouyang, Defang
Favorite | TC[WOS]:40 TC[Scopus]:42  IF:7.1/9.3 | Submit date：2022/01/14
Deep Learning  Lightgbm  Machine Learning  Organic Solvents  Qspr  Solubility Prediction  
Medicinal Electrochemistry: Integration of Electrochemistry, Medicinal Chemistry and Computational Chemistry Journal article
Almeida MO, Maltarollo VG, de Toledo RA, Shim H, Santos MC, Honorio KM. Medicinal Electrochemistry: Integration of Electrochemistry, Medicinal Chemistry and Computational Chemistry[J]. CURRENT MEDICINAL CHEMISTRY, 2014, 21(20), 2266-2275.
Authors:  Almeida MO;  Maltarollo VG;  de Toledo RA;  Shim H;  Santos MC; et al.
Favorite | TC[WOS]:9 TC[Scopus]:10  IF:3.5/4.0 | Submit date：2019/05/30
Computational Chemistry  Electrochemistry  Medicinal Chemistry  Qsar  Qspr