Predicting pharmaceutical crystal morphology using artificial intelligence
Matthew R. Wilkinson, Uriel Martínez-Hernández, Laura Huggon, Chick C. Wilson, Bernardo Castro‐Dominguez
Abstract
We present the use of artificial intelligence to predict the morphology of crystallizing active pharmaceutical ingredients, first using publicly available data, and then using our own screening efforts to address the limitations we identified.
Topics & Concepts
Morphology (biology)Artificial intelligenceComputer scienceNanotechnologyMaterials scienceGeologyPaleontologyCrystallization and Solubility StudiesComputational Drug Discovery MethodsAnalytical Chemistry and Chromatography