Predicting Melting Points of Organic Molecules: Applications to Aqueous Solubility Prediction Using the General Solubility Equation

作者: J. L. McDonagh , T. van Mourik , J. B. O. Mitchell

DOI: 10.1002/MINF.201500052

关键词:

摘要: … predictions of melting points made by several novel machine learning models, previously applied to solubility prediction. … methodologies using a variety of QSPR/QSAR approaches and …

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