<i>SolECOs</i> : a data-driven platform for sustainable and comprehensive solvent selection in pharmaceutical manufacturing
Yiming Ma, Shang Gao, N. K. Mehta, Qinqing Fu, Wei Li, Brahim Benyahia
Abstract
SolECOs combines machine learning and sustainability metrics to enable data-driven solvent selection. Validated with four APIs, it delivers robust solubility prediction, sustainability ranking, and crystallization design support.
Topics & Concepts
SustainabilitySelection (genetic algorithm)Pharmaceutical manufacturingManufacturing engineeringProcess engineeringSolubilitySolventBiochemical engineeringComputer sciencePharmaceutical industryProcess (computing)Manufacturing processSustainable productionCrystallizationProcess designChemistryCorporate sustainabilitySystems engineeringSustainable developmentEngineeringChemistry and Chemical EngineeringProcess Optimization and IntegrationComputational Drug Discovery Methods