111 related articles for article (PubMed ID: 23205736)
1. Searching for substructures in fragment spaces.
Ehrlich HC; Volkamer A; Rarey M
J Chem Inf Model; 2012 Dec; 52(12):3181-9. PubMed ID: 23205736
[TBL] [Abstract][Full Text] [Related]
2. Searching for recursively defined generic chemical patterns in nonenumerated fragment spaces.
Ehrlich HC; Henzler AM; Rarey M
J Chem Inf Model; 2013 Jul; 53(7):1676-88. PubMed ID: 23751070
[TBL] [Abstract][Full Text] [Related]
3. LEAP into the Pfizer Global Virtual Library (PGVL) space: creation of readily synthesizable design ideas automatically.
Hu Q; Peng Z; Kostrowicki J; Kuki A
Methods Mol Biol; 2011; 685():253-76. PubMed ID: 20981528
[TBL] [Abstract][Full Text] [Related]
4. Conserved core substructures in the overlay of protein-ligand complexes.
Finzel BC; Akavaram R; Ragipindi A; Van Voorst JR; Cahn M; Davis ME; Pokross ME; Sheriff S; Baldwin ET
J Chem Inf Model; 2011 Aug; 51(8):1931-41. PubMed ID: 21736376
[TBL] [Abstract][Full Text] [Related]
5. Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces.
Schmidt R; Klein R; Rarey M
J Chem Inf Model; 2022 May; 62(9):2133-2150. PubMed ID: 34478299
[TBL] [Abstract][Full Text] [Related]
6. Large-scale similarity search profiling of ChEMBL compound data sets.
Heikamp K; Bajorath J
J Chem Inf Model; 2011 Aug; 51(8):1831-9. PubMed ID: 21728295
[TBL] [Abstract][Full Text] [Related]
7. Substructure mining using elaborate chemical representation.
Kazius J; Nijssen S; Kok J; Bäck T; Ijzerman AP
J Chem Inf Model; 2006; 46(2):597-605. PubMed ID: 16562988
[TBL] [Abstract][Full Text] [Related]
8. Fragment based lead discovery of small molecule inhibitors for the EPHA4 receptor tyrosine kinase.
van Linden OP; Farenc C; Zoutman WH; Hameetman L; Wijtmans M; Leurs R; Tensen CP; Siegal G; de Esch IJ
Eur J Med Chem; 2012 Jan; 47(1):493-500. PubMed ID: 22137457
[TBL] [Abstract][Full Text] [Related]
9. Identification and selection of "privileged fragments" suitable for primary screening.
Gianti E; Sartori L
J Chem Inf Model; 2008 Nov; 48(11):2129-39. PubMed ID: 18991373
[TBL] [Abstract][Full Text] [Related]
10. Core trees and consensus fragment sequences for molecular representation and similarity analysis.
Lounkine E; Bajorath J
J Chem Inf Model; 2008 Jun; 48(6):1161-6. PubMed ID: 18491888
[TBL] [Abstract][Full Text] [Related]
11. Drug and drug candidate building block analysis.
Wang J; Hou T
J Chem Inf Model; 2010 Jan; 50(1):55-67. PubMed ID: 20020714
[TBL] [Abstract][Full Text] [Related]
12. From activity cliffs to activity ridges: informative data structures for SAR analysis.
Vogt M; Huang Y; Bajorath J
J Chem Inf Model; 2011 Aug; 51(8):1848-56. PubMed ID: 21761918
[TBL] [Abstract][Full Text] [Related]
13. Crystallographic fragment screening.
Badger J
Methods Mol Biol; 2012; 841():161-77. PubMed ID: 22222452
[TBL] [Abstract][Full Text] [Related]
14. From fragment to clinical candidate--a historical perspective.
Chessari G; Woodhead AJ
Drug Discov Today; 2009 Jul; 14(13-14):668-75. PubMed ID: 19427404
[TBL] [Abstract][Full Text] [Related]
15. Expanding the medicinally relevant chemical space with compound libraries.
López-Vallejo F; Giulianotti MA; Houghten RA; Medina-Franco JL
Drug Discov Today; 2012 Jul; 17(13-14):718-26. PubMed ID: 22515962
[TBL] [Abstract][Full Text] [Related]
16. Efficient exploration of large combinatorial chemistry spaces by monomer-based similarity searching.
Yu N; Bakken GA
J Chem Inf Model; 2009 Apr; 49(4):745-55. PubMed ID: 19309177
[TBL] [Abstract][Full Text] [Related]
17. Compound optimization through data set-dependent chemical transformations.
de la Vega de León A; Bajorath J
J Chem Inf Model; 2013 Jun; 53(6):1263-71. PubMed ID: 23654345
[TBL] [Abstract][Full Text] [Related]
18. QM/MM as a tool in fragment based drug discovery. A cross-docking, rescoring study of kinase inhibitors.
Gleeson MP; Gleeson D
J Chem Inf Model; 2009 Jun; 49(6):1437-48. PubMed ID: 19459698
[TBL] [Abstract][Full Text] [Related]
19. Chemical fragment spaces for de novo design.
Mauser H; Stahl M
J Chem Inf Model; 2007; 47(2):318-24. PubMed ID: 17300171
[TBL] [Abstract][Full Text] [Related]
20. Capturing structure-activity relationships from chemogenomic spaces.
Wendt B; Uhrig U; Bös F
J Chem Inf Model; 2011 Apr; 51(4):843-51. PubMed ID: 21410249
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
