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
Topics & Concepts
SolubilityCrystallizationDissolutionLinear regressionProcess (computing)Machine learningBiological systemComputer scienceArtificial intelligenceProcess engineeringBiochemical engineeringChemistryEngineeringOrganic chemistryBiologyOperating systemCrystallization and Solubility StudiesComputational Drug Discovery MethodsSpectroscopy and Chemometric Analyses