Knowledge Management System Of Institute of process engineering,CAS
| PARM: a new QSAR research method based on genetic algorithm | |
| Alternative Title | Chin. Chem. Lett. |
| Chen, HM; Zhou, JJ; Ren, TR; Xie, GR | |
| 1997-11-01 | |
| Source Publication | CHINESE CHEMICAL LETTERS
 |
| ISSN | 1001-8417 |
| Volume | 8Issue:11Pages:975-978 |
| Abstract | 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. 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. |
| Keyword | Design |
| Subtype | Article |
| WOS Headings | Science & Technology ; Physical Sciences |
| URL | 查看原文 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Keyword | DESIGN |
| WOS Research Area | Chemistry |
| WOS Subject | Chemistry, Multidisciplinary |
| WOS ID | WOS:000071217200015 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Version | 出版稿 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/6013 |
| Collection | 研究所（批量导入） |
| Affiliation | Chinese 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. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| PARM_aNewQSARRes_省略_（231KB） | 限制开放 | CC BY-NC-SA | Application Full Text | |||
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