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PARM: a new QSAR research method based on genetic algorithm
Alternative TitleChin. Chem. Lett.
Chen, HM; Zhou, JJ; Ren, TR; Xie, GR
1997-11-01
Source PublicationCHINESE CHEMICAL LETTERS
ISSN1001-8417
Volume8Issue:11Pages:975-978
AbstractBased on Waiters' GERM([3])(Genetic Evolved Receptor Model) algorithm, an improved algorithm PARM(Pseudo Atomic Receptor Model) was put forward. FARM uses combination of genetic algorithm and cross-validation technique to produce atomic-level pseudo receptor model, based on a set of known structure-activity relationship. This algorithm has been applied to one system and afforded reasonable results. In recent years, there have appeared numerous computer programs([1,2]) which can build potential new ligands, based on three-dimensional structure of a receptor protein. Hower, in drug discovery, it is common to have measured activity data for a set of compounds acting upon a particular receptor protein but not to have knowledge of the three-dimensional structure of the protein active site. To solve this kind of problem, in present work, we put forward a FARM algorithm which was based on Waiters' GERM algorithm to predict bioactivity.; Based on Waiters' GERM([3])(Genetic Evolved Receptor Model) algorithm, an improved algorithm PARM(Pseudo Atomic Receptor Model) was put forward. FARM uses combination of genetic algorithm and cross-validation technique to produce atomic-level pseudo receptor model, based on a set of known structure-activity relationship. This algorithm has been applied to one system and afforded reasonable results.
KeywordDesign
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
URL查看原文
Indexed BySCI
Language英语
WOS KeywordDESIGN
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000071217200015
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Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/6013
Collection研究所(批量导入)
AffiliationChinese Acad Sci, Inst Chem Met, Lab Comp Chem, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Chen, HM,Zhou, JJ,Ren, TR,et al. PARM: a new QSAR research method based on genetic algorithm[J]. CHINESE CHEMICAL LETTERS,1997,8(11):975-978.
APA Chen, HM,Zhou, JJ,Ren, TR,&Xie, GR.(1997).PARM: a new QSAR research method based on genetic algorithm.CHINESE CHEMICAL LETTERS,8(11),975-978.
MLA Chen, HM,et al."PARM: a new QSAR research method based on genetic algorithm".CHINESE CHEMICAL LETTERS 8.11(1997):975-978.
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