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Classification of Current Scoring Functions
Alternative Title当今打分函数的分类
Liu J(刘杰)1; Wang RX(王任小)1
Source PublicationJ. Chem Inf. Model.
AbstractScoring functions are a class of computational methods widely applied in structure-based drug design for evaluating protein-ligand interactions. Dozens of scoring functions have been published since the early 1990s. In literature, scoring functions are typically classified as force-field-based, empirical, and knowledge-based. This classification scheme has been quoted for more than a decade and is still repeatedly quoted by some recent publications. Unfortunately, it does not reflect the recent progress in this field. Besides, the naming convention used for describing different types of scoring functions has been somewhat jumbled in literature, which could be confusing for newcomers to this field. Here, we express our viewpoint on an up-to-date classification scheme and appropriate naming convention for current scoring functions. We propose that they can be classified into physics-based methods, empirical scoring functions, knowledge-based potentials, and descriptor-based scoring functions. We also outline the major difference and connections between different categories of scoring functions.
Subject Area计算机化学
Indexed BySCI
WOS IDWOS:000351652900001
Citation statistics
Cited Times:49[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Corresponding AuthorWang RX(王任小)
Affiliation1.中科院上海有机化学研究所, 生命有机化学国家重点实验室
Recommended Citation
GB/T 7714
Liu J,Wang RX. Classification of Current Scoring Functions[J]. J. Chem Inf. Model.,2015,55(3):475-482.
APA 刘杰,&王任小.(2015).Classification of Current Scoring Functions.J. Chem Inf. Model.,55(3),475-482.
MLA 刘杰,et al."Classification of Current Scoring Functions".J. Chem Inf. Model. 55.3(2015):475-482.
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