Predicting the Crystallization Propensity of Drug-Like Molecules

被引：13

作者：

Hancock, Bruno C. ^{[1
]}

机构：

[1] Pfizer Inc, Groton, CT 06340 USA

来源：

JOURNAL OF PHARMACEUTICAL SCIENCES | 2017年 / 106卷 / 01期

关键词：

crystallinity; crystallization; crystals; in silico modeling; materials science; molecular modeling; physical characterization structure-property relationship (SPR); GLASS-FORMING ABILITY; UNDERCOOLED MELTS; TENDENCY; CLASSIFICATION; STABILITY;

D O I：

10.1016/j.xphs.2016.07.031

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Predicting the crystallization propensity of drug-like molecules is one of the most significant challenges facing pharmaceutical scientists today. Despite the importance of being able to understand what structural features of a molecule (polarity, molecular size, etc.) and which experimental conditions (temperature, concentration, etc.) permit a molecule to crystallize, there has been very little published work focused on this topic. This commentary provides a short overview of recent progress in this area and points to potential experimental and computational approaches that might be used in the future. (C) 2016 American Pharmacists Association r. Published by Elsevier Inc. All rights reserved.

引用

页码：28 / 30

页数：3

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