332 related articles for article (PubMed ID: 11032954)
1. Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening.
Xue L; Bajorath J
Comb Chem High Throughput Screen; 2000 Oct; 3(5):363-72. PubMed ID: 11032954
[TBL] [Abstract][Full Text] [Related]
2. Molecular similarity and diversity in chemoinformatics: from theory to applications.
Maldonado AG; Doucet JP; Petitjean M; Fan BT
Mol Divers; 2006 Feb; 10(1):39-79. PubMed ID: 16404528
[TBL] [Abstract][Full Text] [Related]
3. Impact of Molecular Descriptors on Computational Models.
Grisoni F; Consonni V; Todeschini R
Methods Mol Biol; 2018; 1825():171-209. PubMed ID: 30334206
[TBL] [Abstract][Full Text] [Related]
4. Applications of self-organizing neural networks in virtual screening and diversity selection.
Selzer P; Ertl P
J Chem Inf Model; 2006; 46(6):2319-23. PubMed ID: 17125175
[TBL] [Abstract][Full Text] [Related]
5. Rational design approaches to chemical libraries for hit identification.
Balakin KV; Kozintsev AV; Kiselyov AS; Savchuk NP
Curr Drug Discov Technol; 2006 Mar; 3(1):49-65. PubMed ID: 16712463
[TBL] [Abstract][Full Text] [Related]
6. Chemoinformatics - similarity and diversity in chemical libraries.
Willett P
Curr Opin Biotechnol; 2000 Feb; 11(1):85-8. PubMed ID: 10679335
[TBL] [Abstract][Full Text] [Related]
7. Integrating virtual screening and combinatorial chemistry for accelerated drug discovery.
López-Vallejo F; Caulfield T; Martínez-Mayorga K; Giulianotti MA; Nefzi A; Houghten RA; Medina-Franco JL
Comb Chem High Throughput Screen; 2011 Jul; 14(6):475-87. PubMed ID: 21521151
[TBL] [Abstract][Full Text] [Related]
8. Trends in virtual combinatorial library design.
Schneider G
Curr Med Chem; 2002 Dec; 9(23):2095-101. PubMed ID: 12470249
[TBL] [Abstract][Full Text] [Related]
9. Mold(2), molecular descriptors from 2D structures for chemoinformatics and toxicoinformatics.
Hong H; Xie Q; Ge W; Qian F; Fang H; Shi L; Su Z; Perkins R; Tong W
J Chem Inf Model; 2008 Jul; 48(7):1337-44. PubMed ID: 18564836
[TBL] [Abstract][Full Text] [Related]
10. Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity.
Mason JS; Beno BR
J Mol Graph Model; 2000; 18(4-5):438-51, 538. PubMed ID: 11143561
[TBL] [Abstract][Full Text] [Related]
11. Use of mathematical structural invariants in analyzing combinatorial libraries: a case study with psoralen derivatives.
Basak SC; Mills D; Gute BD; Balaban AT; Basak K; Grunwald GD
Curr Comput Aided Drug Des; 2010 Dec; 6(4):240-51. PubMed ID: 20883202
[TBL] [Abstract][Full Text] [Related]
12. Virtual screening of virtual libraries.
Green DV
Prog Med Chem; 2003; 41():61-97. PubMed ID: 12774691
[TBL] [Abstract][Full Text] [Related]
13. Basic overview of chemoinformatics.
Engel T
J Chem Inf Model; 2006; 46(6):2267-77. PubMed ID: 17125169
[TBL] [Abstract][Full Text] [Related]
14. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
Koutsoukas A; Paricharak S; Galloway WR; Spring DR; Ijzerman AP; Glen RC; Marcus D; Bender A
J Chem Inf Model; 2014 Jan; 54(1):230-42. PubMed ID: 24289493
[TBL] [Abstract][Full Text] [Related]
15. A scalable approach to combinatorial library design for drug discovery.
Sharma P; Salapaka S; Beck C
J Chem Inf Model; 2008 Jan; 48(1):27-41. PubMed ID: 18052333
[TBL] [Abstract][Full Text] [Related]
16. Novel 2D fingerprints for ligand-based virtual screening.
Ewing T; Baber JC; Feher M
J Chem Inf Model; 2006; 46(6):2423-31. PubMed ID: 17125184
[TBL] [Abstract][Full Text] [Related]
17. Novel algorithms for the optimization of molecular diversity of combinatorial libraries.
Waldman M; Li H; Hassan M
J Mol Graph Model; 2000; 18(4-5):412-26, 533-6. PubMed ID: 11143559
[TBL] [Abstract][Full Text] [Related]
18. Structure-directed combinatorial library design.
Zhou JZ
Curr Opin Chem Biol; 2008 Jun; 12(3):379-85. PubMed ID: 18328830
[TBL] [Abstract][Full Text] [Related]
19. Computational approaches towards the rational design of drug-like compound libraries.
Matter H; Baringhaus KH; Naumann T; Klabunde T; Pirard B
Comb Chem High Throughput Screen; 2001 Sep; 4(6):453-75. PubMed ID: 11562252
[TBL] [Abstract][Full Text] [Related]
20. Applications of random sampling to virtual screening of combinatorial libraries.
Beroza P; Bradley EK; Eksterowicz JE; Feinstein R; Greene J; Grootenhuis PD; Henne RM; Mount J; Shirley WA; Smellie A; Stanton RV; Spellmeyer DC
J Mol Graph Model; 2000; 18(4-5):335-42. PubMed ID: 11143553
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]