Rational Coformer Screening of Multicomponent Crystals of Abiraterone Acetate Using Machine Learning (ML) and Multicomponent Hydrogen Bond Propensity (MCHBP): A Comprehensive Structural and Computational Investigation
Multicomponent crystalline systems offer a viable approach to improving the physicochemical and pharmacokinetic properties of drugs, thereby enabling the rational optimization of solid forms through coformer identification. The conventional process relies on empirical knowledge and chemical intuition. To overcome tra...