Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Molecular similarity/diversity combinatorial library design

Kollman, P.A. Case, D.A. Dmg-target binding forces advances in force field approaches, 169-185 Mason, J.S. Pickett, S.D. Combinatorial library design. Molecular similarity and diversity applications, 187-242 Muegge, I. [Pg.481]

Mason J. S., Pickett S. D. Combinatorial Library Design, Molecular Similarity and Diversity Applications, in Burger s Med. Chem. and Drug Discov., 6th edn, Wiley, NY, 2003, Vol. 1. [Pg.102]

Combinatorial Library Design, Molecular Similarity, and Diversity Applications... [Pg.188]

Virtual screening, with experimental verification by biological screening, has provided a validation of many of the molecular similarity 1 diversity methods used for combinatorial library design, and some ligand-based approaches and examples are discussed in Section 3. [Pg.190]

Mason, J.S. and Pickett, S.D. (2003) Combinatorial library design, molecular similarity and diversity applications, in Burgefs Medicinal Chemistry and Drug Discovery 6 (ed. D.J. Abraham), John Wiley Sons, Inc., USA, pp. 187-242. [Pg.404]

The descriptor uses readily calculable physicochemical properties from the topological structure. The descriptors used in this study were atomic weight, hydropho-bicity, molecular refractivity, atomic charge, polar surface area, hydrogen bond acceptors, and hydrogen bond donors. The authors note that Martin et al. [32] applied a similar approach for the design of diverse combinatorial libraries. [Pg.149]

Mason JS, Morize 1, Menard PR, Cheney DL, Hulme C, Labaudiniere RF. New 4-point pharmacophore method for molecular similarity and diversity applications Overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures. I Med Chem 1999 42 3251-64. [Pg.207]


See other pages where Molecular similarity/diversity combinatorial library design is mentioned: [Pg.311]    [Pg.179]    [Pg.67]    [Pg.278]    [Pg.188]    [Pg.190]    [Pg.190]    [Pg.190]    [Pg.214]    [Pg.214]    [Pg.216]    [Pg.216]    [Pg.217]    [Pg.224]    [Pg.111]    [Pg.4]    [Pg.27]    [Pg.758]    [Pg.356]   
See also in sourсe #XX -- [ Pg.190 , Pg.214 , Pg.215 , Pg.216 , Pg.217 , Pg.218 , Pg.219 , Pg.220 , Pg.221 , Pg.222 , Pg.223 , Pg.224 , Pg.225 , Pg.226 , Pg.227 ]




SEARCH



Combinatorial design

Combinatorial diversity

Combinatorial library

Design diversity

Designing Combinatorial Libraries

Diverse libraries

Diversity library

Libraries, combinatorial design

Library design

Molecular Diversity

Molecular library

Molecular library design

Molecular similarity

© 2024 chempedia.info