These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
365 related articles for article (PubMed ID: 17367122)
1. Designing active template molecules by combining computational de novo design and human chemist's expertise. Lameijer EW; Tromp RA; Spanjersberg RF; Brussee J; Ijzerman AP J Med Chem; 2007 Apr; 50(8):1925-32. PubMed ID: 17367122 [TBL] [Abstract][Full Text] [Related]
2. Is chemical synthetic accessibility computationally predictable for drug and lead-like molecules? A comparative assessment between medicinal and computational chemists. Bonnet P Eur J Med Chem; 2012 Aug; 54():679-89. PubMed ID: 22749644 [TBL] [Abstract][Full Text] [Related]
3. SYNOPSIS: SYNthesize and OPtimize System in Silico. Vinkers HM; de Jonge MR; Daeyaert FF; Heeres J; Koymans LM; van Lenthe JH; Lewi PJ; Timmerman H; Van Aken K; Janssen PA J Med Chem; 2003 Jun; 46(13):2765-73. PubMed ID: 12801239 [TBL] [Abstract][Full Text] [Related]
4. Assessment of the consistency of medicinal chemists in reviewing sets of compounds. Lajiness MS; Maggiora GM; Shanmugasundaram V J Med Chem; 2004 Sep; 47(20):4891-6. PubMed ID: 15369393 [TBL] [Abstract][Full Text] [Related]
5. Calculation and application of activity discriminants in lead optimization. Luo X; Krumrine JR; Shenvi AB; Pierson ME; Bernstein PR J Mol Graph Model; 2010 Nov; 29(3):372-81. PubMed ID: 20800520 [TBL] [Abstract][Full Text] [Related]
6. Comparison of 2D fingerprint methods for multiple-template similarity searching on compound activity classes of increasing structural diversity. Tovar A; Eckert H; Bajorath J ChemMedChem; 2007 Feb; 2(2):208-17. PubMed ID: 17143917 [TBL] [Abstract][Full Text] [Related]
7. Intramolecular hydrogen bonding in medicinal chemistry. Kuhn B; Mohr P; Stahl M J Med Chem; 2010 Mar; 53(6):2601-11. PubMed ID: 20175530 [TBL] [Abstract][Full Text] [Related]
8. De novo drug design. Hartenfeller M; Schneider G Methods Mol Biol; 2011; 672():299-323. PubMed ID: 20838974 [TBL] [Abstract][Full Text] [Related]
9. Development of potent and selective small-molecule human Urotensin-II antagonists. McAtee JJ; Dodson JW; Dowdell SE; Girard GR; Goodman KB; Hilfiker MA; Sehon CA; Sha D; Wang GZ; Wang N; Viet AQ; Zhang D; Aiyar NV; Behm DJ; Carballo LH; Evans CA; Fries HE; Nagilla R; Roethke TJ; Xu X; Yuan CC; Douglas SA; Neeb MJ Bioorg Med Chem Lett; 2008 Jun; 18(12):3500-3. PubMed ID: 18502123 [TBL] [Abstract][Full Text] [Related]
10. Ligand-based approach to in silico pharmacology: nuclear receptor profiling. Mestres J; Martín-Couce L; Gregori-Puigjané E; Cases M; Boyer S J Chem Inf Model; 2006; 46(6):2725-36. PubMed ID: 17125212 [TBL] [Abstract][Full Text] [Related]
11. Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure. Leach AG; Jones HD; Cosgrove DA; Kenny PW; Ruston L; MacFaul P; Wood JM; Colclough N; Law B J Med Chem; 2006 Nov; 49(23):6672-82. PubMed ID: 17154498 [TBL] [Abstract][Full Text] [Related]
12. Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery. Therrien E; Englebienne P; Arrowsmith AG; Mendoza-Sanchez R; Corbeil CR; Weill N; Campagna-Slater V; Moitessier N J Chem Inf Model; 2012 Jan; 52(1):210-24. PubMed ID: 22133077 [TBL] [Abstract][Full Text] [Related]
13. The first de novo-designed antagonists of the human NK(2) receptor. Ali MA; Bhogal N; Findlay JB; Fishwick CW J Med Chem; 2005 Sep; 48(18):5655-8. PubMed ID: 16134933 [TBL] [Abstract][Full Text] [Related]
14. LEA3D: a computer-aided ligand design for structure-based drug design. Douguet D; Munier-Lehmann H; Labesse G; Pochet S J Med Chem; 2005 Apr; 48(7):2457-68. PubMed ID: 15801836 [TBL] [Abstract][Full Text] [Related]
15. Development of specific "drug-like property" rules for carboxylate-containing oral drug candidates. Böcker A; Bonneau PR; Hucke O; Jakalian A; Edwards PJ ChemMedChem; 2010 Dec; 5(12):2102-13. PubMed ID: 20979082 [TBL] [Abstract][Full Text] [Related]
16. Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors. Guckian KM; Lin EY; Silvian L; Friedman JE; Chin D; Scott DM Bioorg Med Chem Lett; 2008 Oct; 18(19):5249-51. PubMed ID: 18778938 [TBL] [Abstract][Full Text] [Related]
17. Escape from flatland: increasing saturation as an approach to improving clinical success. Lovering F; Bikker J; Humblet C J Med Chem; 2009 Nov; 52(21):6752-6. PubMed ID: 19827778 [TBL] [Abstract][Full Text] [Related]
18. Generation and selection of novel estrogen receptor ligands using the de novo structure-based design tool, SkelGen. Firth-Clark S; Willems HM; Williams A; Harris W J Chem Inf Model; 2006; 46(2):642-7. PubMed ID: 16562994 [TBL] [Abstract][Full Text] [Related]
19. Ligand identification for G-protein-coupled receptors: a lead generation perspective. Bleicher KH; Green LG; Martin RE; Rogers-Evans M Curr Opin Chem Biol; 2004 Jun; 8(3):287-96. PubMed ID: 15183327 [TBL] [Abstract][Full Text] [Related]
20. From modeling to medicinal chemistry: automatic generation of two-dimensional complex diagrams. Stierand K; Rarey M ChemMedChem; 2007 Jun; 2(6):853-60. PubMed ID: 17436259 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]