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Solution crystallization is an important separation unit operation in active pharmaceutical ingredient production. Solvent is one of the important factors affecting crystal morphology. How to select/design suitable solvents is still one of the most urgent problems in the crystallization field. In this article, a framework for crystallization solvent design based on the developed quantitative prediction...
Solvents are widely used in chemical processes. The use of efficient model‐based solvent selection techniques is an option worth considering for rapid identification of candidates with better economic, environment and human health properties. In this paper, an optimization‐based MLAC‐CAMD framework is established for solvent design, where a novel machine learning‐based atom contribution method is...
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