Computational screening for prediction of co-crystals: method comparison and experimental validation
计算机科学
材料科学
生物系统
生物
作者
Fateme Molajafari,Tianrui Li,Mehrnaz Abbasichaleshtori,Moein Hajian Z. D.,Anthony F. Cozzolino,Daniel R. Fandrick,Joshua D. Howe
出处
期刊：CrystEngComm [The Royal Society of Chemistry] 日期：2024-01-01卷期号：26 (11): 1620-1636被引量：9
标识
DOI：10.1039/d3ce01252b
摘要
COSMO-RS and machine learning-based models can reduce the cost of screening and identifying crystal coformers, facilitating discovery of new cocrystals.
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