生物信息学
药品
计算生物学
药物靶点
药理学
计算机科学
医学
化学
生物
生物化学
基因
作者
RU Kadam,Nilanjana Dutta Roy
标识
DOI:10.4103/0250-474x.38464
摘要
The low success rate of converting lead compounds into drugs owing to unfavorable pharmacokinetic parameters has evoked a renewed interest in understanding more clearly what makes a compound drug-like. This article reviews a number of computational techniques for identifying drug-like molecules, ranging from simple counting schemes to sophisticated machine learning techniques such as neural networks, along with their application and challenges.
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