Durham Medical Books > Combinatorics > New PDF release: Combinatorial Library Design and Evaluation: Principles,

New PDF release: Combinatorial Library Design and Evaluation: Principles,

By Arup Ghose, Vellerkad Viswanadhan

ISBN-10: 0585403414

ISBN-13: 9780585403410

ISBN-10: 0824704878

ISBN-13: 9780824704872

This article strains advancements in rational drug discovery and combinatorial library layout with contributions from 50 best scientists in academia and who supply assurance of simple rules, layout innovations, methodologies, software program instruments and algorithms, and functions. It outlines the basics of pharmacophore modelling and 3D Quantitative Structure-Activity Relationships (QSAR), classical QSAR, and objective protein structure-based layout equipment.

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Additional info for Combinatorial Library Design and Evaluation: Principles, Software, Tools, and Applications in Drug Discovery

Example text

The results of this analysis would likely be different from an assessment of the same list of reactants with respect to descriptors of biological relevance. With this in mind, it is important consider that if a compound fails to undergo the desired transformations, it really does not matter if the compound was predicted to have biological activity. Thus, unless the chemistry for the proposed library is very well developed, some amount of iteration between theoretical design and empirical testing must occur.

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J Comb Chem 1999; 1:403–457. 17. Brown RCD. Recent developments in solid-phase organic synthesis. J Chem Soc Perkin Trans. 1 1998:3293–3320. 18. James IW. Linkers for solid phase organic synthesis. Tetrahedron 1999; 55: 4855–4946. 19. Floyd CD, Lewis CN, Patel SR, Whittaker M. A method for the synthesis of hydroxamic acids on solid phase. Tetrahedron Lett 1996; 37:8045–8048. 20. Kim SW, Hong CY, Koh JS, Lee EJ, Lee K. Solid phase synthesis of benzamidinederived sulfonamide libraries. Mol Diversity 1998; 3:133–136.

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Combinatorial Library Design and Evaluation: Principles, Software, Tools, and Applications in Drug Discovery by Arup Ghose, Vellerkad Viswanadhan


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