Classification of Current Scoring Functions
文献类型：期刊论文
| 作者 | Liu J(刘杰)1; Wang RX(王任小)1 |
| 刊名 | J. Chem Inf. Model.
 |
| 出版日期 | 2015 |
| 卷号 | 55期号:3页码:475-482 |
| 其他题名 | 当今打分函数的分类 |
| 通讯作者 | 王任小 |
| 英文摘要 | Scoring 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. |
| 学科主题 | 计算机化学 |
| 收录类别 | SCI |
| 原文出处 | http://dx.doi.org/10.1021/ci500731a |
| 语种 | 英语 |
| WOS记录号 | WOS:000351652900001 |
| 源URL | [http://ir.sioc.ac.cn/handle/331003/39821]  |
| 专题 | 上海有机化学研究所_计算机化学与化学信息学研究室 |
| 作者单位 | 1.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 2.澳门科技大学 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：上海有机化学研究所
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