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Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?
Drug Discovery Today ( IF 6.5 ) Pub Date : 2018-01-09 , DOI: 10.1016/j.drudis.2018.01.010
Serge Mignani , João Rodrigues , Helena Tomas , Rachid Jalal , Parvinder Pal Singh , Jean-Pierre Majoral , Ram A. Vishwakarma

During the past decade, decreasing the attrition rate of drug development candidates reaching the market has become one of the major challenges in pharmaceutical research and drug development (R&D). To facilitate the decision-making process, and to increase the probability of rapidly finding and developing high-quality compounds, a variety of multiparametric guidelines, also known as rules and ligand efficiency (LE) metrics, have been developed. However, what are the ‘best’ descriptors and how far can we simplify these drug-likeness prediction tools in terms of the numerous, complex properties that they relate to?



中文翻译:

在铅和铅优化过程中,目前药物化学中的类药物过滤器:可以简化多远?

在过去的十年中,降低候选药物开发人员进入市场的流失率已成为药物研究和药物开发(R&D)的主要挑战之一。为了促进决策过程,并增加快速发现和开发高质量化合物的可能性,已经开发了多种多参数指南,也称为规则和配体效率(LE)指标。但是,“最佳”描述符是什么?就它们所具有的众多复杂特性而言,我们能在多大程度上简化这些药物相似性预测工具?

更新日期:2018-01-09
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