中国科学院上海有机化学研究所机构知识库
Advanced  
SIOC OpenIR  > 计算机化学与化学信息学研究室  > 期刊论文
学科主题: 计算机化学
题名: Classification of Current Scoring Functions
其他题名: 当今打分函数的分类
作者: Liu J(刘杰)1; Wang RX(王任小)1
通讯作者: 王任小
刊名: J. Chem Inf. Model.
发表日期: 2015
DOI: 10.1021/ci500731a
卷: 55, 期:3, 页:475-482
收录类别: SCI
文章类型: 论文
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.
语种: 英语
相关网址: 查看原文
WOS记录号: WOS:000351652900001
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sioc.ac.cn/handle/331003/39821
Appears in Collections:计算机化学与化学信息学研究室_期刊论文

Files in This Item: Download All
File Name/ File Size Content Type Version Access License
2015175.pdf(607KB)期刊论文作者接受稿开放获取View Download

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

Recommended Citation:
Liu J,Wang RX. Classification of Current Scoring Functions[J]. J. Chem Inf. Model.,2015,55(3):475-482.
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[刘杰]'s Articles
[王任小]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[刘杰]‘s Articles
[王任小]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
Add to CiteULike Add to Connotea Add to Del.icio.us Add to Digg Add to Reddit
文件名: 2015175.pdf
格式: Adobe PDF
此文件暂不支持浏览
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace