337 related articles for article (PubMed ID: 17260980)
1. Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery.
Fink T; Reymond JL
J Chem Inf Model; 2007; 47(2):342-53. PubMed ID: 17260980
[TBL] [Abstract][Full Text] [Related]
2. 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13.
Blum LC; Reymond JL
J Am Chem Soc; 2009 Jul; 131(25):8732-3. PubMed ID: 19505099
[TBL] [Abstract][Full Text] [Related]
3. Visualization and virtual screening of the chemical universe database GDB-17.
Ruddigkeit L; Blum LC; Reymond JL
J Chem Inf Model; 2013 Jan; 53(1):56-65. PubMed ID: 23259841
[TBL] [Abstract][Full Text] [Related]
4. Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17.
Ruddigkeit L; van Deursen R; Blum LC; Reymond JL
J Chem Inf Model; 2012 Nov; 52(11):2864-75. PubMed ID: 23088335
[TBL] [Abstract][Full Text] [Related]
5. Visualisation and subsets of the chemical universe database GDB-13 for virtual screening.
Blum LC; van Deursen R; Reymond JL
J Comput Aided Mol Des; 2011 Jul; 25(7):637-47. PubMed ID: 21618009
[TBL] [Abstract][Full Text] [Related]
6. Discovery of α7-nicotinic receptor ligands by virtual screening of the chemical universe database GDB-13.
Blum LC; van Deursen R; Bertrand S; Mayer M; Bürgi JJ; Bertrand D; Reymond JL
J Chem Inf Model; 2011 Dec; 51(12):3105-12. PubMed ID: 22077916
[TBL] [Abstract][Full Text] [Related]
7. Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem.
van Deursen R; Blum LC; Reymond JL
J Comput Aided Mol Des; 2011 Jul; 25(7):649-62. PubMed ID: 21618008
[TBL] [Abstract][Full Text] [Related]
8. Medicinal Chemistry Aware Database GDBMedChem.
Awale M; Sirockin F; Stiefl N; Reymond JL
Mol Inform; 2019 Aug; 38(8-9):e1900031. PubMed ID: 31169974
[TBL] [Abstract][Full Text] [Related]
9. Exploring the chemical space of known and unknown organic small molecules at www.gdb.unibe.ch.
Reymond JL; Blum LC; van Deursen R
Chimia (Aarau); 2011; 65(11):863-7. PubMed ID: 22289373
[TBL] [Abstract][Full Text] [Related]
10. Fragment Database FDB-17.
Visini R; Awale M; Reymond JL
J Chem Inf Model; 2017 Apr; 57(4):700-709. PubMed ID: 28375006
[TBL] [Abstract][Full Text] [Related]
11. Virtual Exploration of the Ring Systems Chemical Universe.
Visini R; Arús-Pous J; Awale M; Reymond JL
J Chem Inf Model; 2017 Nov; 57(11):2707-2718. PubMed ID: 29019686
[TBL] [Abstract][Full Text] [Related]
12. Identification of selective norbornane-type aspartate analogue inhibitors of the glutamate transporter 1 (GLT-1) from the chemical universe generated database (GDB).
Luethi E; Nguyen KT; Bürzle M; Blum LC; Suzuki Y; Hediger M; Reymond JL
J Med Chem; 2010 Oct; 53(19):7236-50. PubMed ID: 20812729
[TBL] [Abstract][Full Text] [Related]
13. Molecular Framework Analysis of the Generated Database GDB-13s.
Buehler Y; Reymond JL
J Chem Inf Model; 2023 Jan; 63(2):484-492. PubMed ID: 36533982
[TBL] [Abstract][Full Text] [Related]
14. Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds.
Ertl P; Jelfs S; Mühlbacher J; Schuffenhauer A; Selzer P
J Med Chem; 2006 Jul; 49(15):4568-73. PubMed ID: 16854061
[TBL] [Abstract][Full Text] [Related]
15. The chemical space project.
Reymond JL
Acc Chem Res; 2015 Mar; 48(3):722-30. PubMed ID: 25687211
[TBL] [Abstract][Full Text] [Related]
16. Drug-likeness and increased hydrophobicity of commercially available compound libraries for drug screening.
Zuegg J; Cooper MA
Curr Top Med Chem; 2012; 12(14):1500-13. PubMed ID: 22827520
[TBL] [Abstract][Full Text] [Related]
17. Computational validation of the importance of absolute stereochemistry in virtual screening.
Brooks WH; Daniel KG; Sung SS; Guida WC
J Chem Inf Model; 2008 Mar; 48(3):639-45. PubMed ID: 18266348
[TBL] [Abstract][Full Text] [Related]
18. Descriptors, physical properties, and drug-likeness.
Brüstle M; Beck B; Schindler T; King W; Mitchell T; Clark T
J Med Chem; 2002 Aug; 45(16):3345-55. PubMed ID: 12139446
[TBL] [Abstract][Full Text] [Related]
19. The Generated Databases (GDBs) as a Source of 3D-shaped Building Blocks for Use in Medicinal Chemistry and Drug Discovery.
Meier K; Bühlmann S; Arús-Pous J; Reymond JL
Chimia (Aarau); 2020 Apr; 74(4):241-246. PubMed ID: 32331540
[TBL] [Abstract][Full Text] [Related]
20. 3-(aminomethyl)piperazine-2,5-dione as a novel NMDA glycine site inhibitor from the chemical universe database GDB.
Nguyen KT; Luethi E; Syed S; Urwyler S; Bertrand S; Bertrand D; Reymond JL
Bioorg Med Chem Lett; 2009 Jul; 19(14):3832-5. PubMed ID: 19394821
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
