Virtual coformer screening by a combined machine learning and physics-based approach
Jiuchuang Yuan, Xuetao Liu, Simin Wang, Chao Chang, Qiao Zeng, Qiao Zeng, Zhengtian Song, Yingdi Jin, Qun Zeng, Qun Zeng, Guangxu Sun, Shigang Ruan, Chandler Greenwell, Yuriy A. Abramov
Abstract
Cocrystals as a solid form technology for improving physicochemical properties have gained increasing popularity in the pharmaceutical, nutraceutical, and agrochemical industries.
Topics & Concepts
NutraceuticalAgrochemicalPopularityBiochemical engineeringNanotechnologyComputer scienceProcess engineeringMaterials scienceEngineeringChemistryAgricultureBiologyFood scienceEcologySocial psychologyPsychologyCrystallization and Solubility StudiesCrystallography and molecular interactionsComputational Drug Discovery Methods