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Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients in industrial crystallization

Yiming Ma, Zhenguo Gao, Peng Shi, Mingyang Chen, Songgu Wu, Chao Yang, Jingkang Wang, Jingcai Cheng, Junbo Gong

2021Frontiers of Chemical Science and Engineering37 citationsDOI

Topics & Concepts

SolubilityCrystallizationDissolutionLinear regressionProcess (computing)Machine learningBiological systemComputer scienceArtificial intelligenceProcess engineeringBiochemical engineeringChemistryEngineeringOrganic chemistryBiologyOperating systemCrystallization and Solubility StudiesComputational Drug Discovery MethodsSpectroscopy and Chemometric Analyses
Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients in industrial crystallization | Litcius