186 related articles for article (PubMed ID: 20979082)
1. 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]
2. 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]
3. [Strategy of molecular design of drugs: the unification of macro-properties and micro-structures of a molecule].
Guo ZR
Yao Xue Xue Bao; 2008 Mar; 43(3):227-33. PubMed ID: 18630256
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Application of ALOGPS 2.1 to predict log D distribution coefficient for Pfizer proprietary compounds.
Tetko IV; Poda GI
J Med Chem; 2004 Nov; 47(23):5601-4. PubMed ID: 15509156
[TBL] [Abstract][Full Text] [Related]
6. The graphical representation of ADME-related molecule properties for medicinal chemists.
Ritchie TJ; Ertl P; Lewis R
Drug Discov Today; 2011 Jan; 16(1-2):65-72. PubMed ID: 21074634
[TBL] [Abstract][Full Text] [Related]
7. Characteristics of known drug space. Natural products, their derivatives and synthetic drugs.
Bade R; Chan HF; Reynisson J
Eur J Med Chem; 2010 Dec; 45(12):5646-52. PubMed ID: 20888084
[TBL] [Abstract][Full Text] [Related]
8. Known drug space as a metric in exploring the boundaries of drug-like chemical space.
Mirza A; Desai R; Reynisson J
Eur J Med Chem; 2009 Dec; 44(12):5006-11. PubMed ID: 19782440
[TBL] [Abstract][Full Text] [Related]
9. The medicinal chemist's toolbox: an analysis of reactions used in the pursuit of drug candidates.
Roughley SD; Jordan AM
J Med Chem; 2011 May; 54(10):3451-79. PubMed ID: 21504168
[No Abstract] [Full Text] [Related]
10. In silico prediction of the solubility advantage for amorphous drugs - Are there property-based rules for drug discovery and early pharmaceutical development?
Kuentz M; Imanidis G
Eur J Pharm Sci; 2013 Feb; 48(3):554-62. PubMed ID: 23262058
[TBL] [Abstract][Full Text] [Related]
11. A medicinal chemistry perspective on structure-based drug design and development.
Maddaford SP
Methods Mol Biol; 2012; 841():351-81. PubMed ID: 22222460
[TBL] [Abstract][Full Text] [Related]
12. Drug- and lead-likeness, target class, and molecular diversity analysis of 7.9 million commercially available organic compounds provided by 29 suppliers.
Chuprina A; Lukin O; Demoiseaux R; Buzko A; Shivanyuk A
J Chem Inf Model; 2010 Apr; 50(4):470-9. PubMed ID: 20297844
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Prediction of MS/MS data. 1. A focus on pharmaceuticals containing carboxylic acids.
Bandu ML; Watkins KR; Bretthauer ML; Moore CA; Desaire H
Anal Chem; 2004 Mar; 76(6):1746-53. PubMed ID: 15018578
[TBL] [Abstract][Full Text] [Related]
15. ADME evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules?
Hou T; Wang J; Zhang W; Xu X
J Chem Inf Model; 2007; 47(2):460-3. PubMed ID: 17381169
[TBL] [Abstract][Full Text] [Related]
16. The calculation of polar surface area from first principles: an application of quantum chemical topology to drug design.
Bytheway I; Darley MG; Popelier PL
ChemMedChem; 2008 Mar; 3(3):445-53. PubMed ID: 18161739
[TBL] [Abstract][Full Text] [Related]
17. Ask the experts: past, present and future of the rule of five.
Baell J; Congreve M; Leeson P; Abad-Zapatero C
Future Med Chem; 2013 May; 5(7):745-52. PubMed ID: 23651089
[TBL] [Abstract][Full Text] [Related]
18. Genetic algorithm-optimized QSPR models for bioavailability, protein binding, and urinary excretion.
Wang J; Krudy G; Xie XQ; Wu C; Holland G
J Chem Inf Model; 2006; 46(6):2674-83. PubMed ID: 17125207
[TBL] [Abstract][Full Text] [Related]
19. Pursuing the leadlikeness concept in pharmaceutical research.
Hann MM; Oprea TI
Curr Opin Chem Biol; 2004 Jun; 8(3):255-63. PubMed ID: 15183323
[TBL] [Abstract][Full Text] [Related]
20. Rationalizing the selection of oral lipid based drug delivery systems by an in vitro dynamic lipolysis model for improved oral bioavailability of poorly water soluble drugs.
Dahan A; Hoffman A
J Control Release; 2008 Jul; 129(1):1-10. PubMed ID: 18499294
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
