中产阶级 发表于 2025-3-21 18:11:22

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防止 发表于 2025-3-21 20:45:03

Chemoinformatics and Library Designerve as an invitation to readers for more in-depth exploration of the field. The topics covered in this chapter are chemical representation, chemical data and data mining, molecular descriptors, chemical space and dimension reduction, quantitative structure–activity relationship, similarity, diversi

ELUC 发表于 2025-3-22 02:02:15

Molecular Library Design Using Multi-Objective Optimization Methods for the purposes of drug discovery. Contrary to initial expectations, the increase in screening library size, typically combined with an emphasis on compound structural diversity, did not result in a comparable increase in the number of promising hits found. In an effort to improve the likelihood o

懒鬼才会衰弱 发表于 2025-3-22 06:21:37

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杂色 发表于 2025-3-22 10:46:41

Application of Free–Wilson Selectivity Analysis for Combinatorial Library Designutational approach for generating virtual libraries. The Free–Wilson methodology was applied to extract rules from two data sets containing compounds which were screened against either kinase or PDE gene family panels. The rules were used to make predictions for all compounds enumerated from their r

Heterodoxy 发表于 2025-3-22 16:45:39

Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Designld be achieved through rational selection of reagents used in combinatorial library synthesis. However, with a rapid advent of parallel synthesis methods and availability of millions of compounds synthesized by many vendors, it may be more efficient to design targeted libraries by means of virtual s

Heterodoxy 发表于 2025-3-22 18:44:16

Combinatorial Library Design from Reagent Pharmacophore Fingerprintsased emphasis on targeted lead generation libraries and focussed screening libraries in the pharmaceutical industry has driven a surge in computational methods to explore molecular frameworks to establish new chemical equity. In this chapter we describe a complementary technique in the library desig

organic-matrix 发表于 2025-3-22 22:48:34

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陈腐的人 发表于 2025-3-23 01:59:48

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cacophony 发表于 2025-3-23 09:03:50

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查看完整版本: Titlebook: Chemical Library Design; Joe Zhongxiang Zhou Book 2011 Springer Science+Business Media, LLC 2011 Chemoinformatics.Combinatorial libraries.