基于反应物和产物的组合文库设计方法。 - Suppr

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超能文献

Reactant- and product-based approaches to the design of combinatorial libraries.

作者信息

Gillet Valerie J

机构信息

Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, UK.

出版信息

J Comput Aided Mol Des. 2002 May-Jun;16(5-6):371-80. doi: 10.1023/a:1020825416871.

DOI:10.1023/a:1020825416871

PMID:12489685

Abstract

摘要

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本文引用的文献

Is there a difference between leads and drugs? A historical perspective.导联与药物之间存在差异吗？历史视角。

J Chem Inf Comput Sci. 2001 Sep-Oct;41(5):1308-15. doi: 10.1021/ci010366a.

Molecular complexity and its impact on the probability of finding leads for drug discovery.分子复杂性及其对药物发现中寻找先导化合物概率的影响。

J Chem Inf Comput Sci. 2001 May-Jun;41(3):856-64. doi: 10.1021/ci000403i.

Use of Markush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries.

J Mol Graph Model. 2000 Aug-Oct;18(4-5):452-63.

Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity.使用BCUT化学空间描述符和多个四点药效团指纹的库设计：同时优化和基于结构的多样性。

J Mol Graph Model. 2000 Aug-Oct;18(4-5):438-51, 538. doi: 10.1016/s1093-3263(00)00073-5.

Combinatorial library design for diversity, cost efficiency, and drug-like character.用于多样性、成本效益和类药物特性的组合文库设计。

J Mol Graph Model. 2000 Aug-Oct;18(4-5):427-37, 537. doi: 10.1016/s1093-3263(00)00072-3.

Designing targeted libraries with genetic algorithms.使用遗传算法设计靶向文库。

J Mol Graph Model. 2000 Aug-Oct;18(4-5):320-34, 525. doi: 10.1016/s1093-3263(00)00060-7.

PLUMS: a program for the rapid optimization of focused libraries.PLUMS：一个用于快速优化聚焦文库的程序。

J Chem Inf Comput Sci. 2000 Nov-Dec;40(6):1441-8. doi: 10.1021/ci000389+.

The in silico world of virtual libraries.

Drug Discov Today. 2000 Aug;5(8):326-336. doi: 10.1016/s1359-6446(00)01516-6.

Diversity screening versus focussed screening in drug discovery.药物研发中的多样性筛选与聚焦筛选

Drug Discov Today. 2000 Jul;5(7):286-293. doi: 10.1016/s1359-6446(00)01517-8.

Combinatorial library design: maximizing model-fitting compounds within matrix synthesis constraints.

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