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.
118 related articles for article (PubMed ID: 22420655)
1. Size estimation of chemical space: how big is it? Drew KL; Baiman H; Khwaounjoo P; Yu B; Reynisson J J Pharm Pharmacol; 2012 Apr; 64(4):490-5. PubMed ID: 22420655 [TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. Separating drugs from nondrugs: a statistical approach using atom pair distributions. Hutter MC J Chem Inf Model; 2007; 47(1):186-94. PubMed ID: 17238264 [TBL] [Abstract][Full Text] [Related]
5. ADME evaluation in drug discovery. 2. Prediction of partition coefficient by atom-additive approach based on atom-weighted solvent accessible surface areas. Hou TJ; Xu XJ J Chem Inf Comput Sci; 2003; 43(3):1058-67. PubMed ID: 12767165 [TBL] [Abstract][Full Text] [Related]
6. Computational aqueous solubility prediction for drug-like compounds in congeneric series. Du-Cuny L; Huwyler J; Wiese M; Kansy M Eur J Med Chem; 2008 Mar; 43(3):501-12. PubMed ID: 17574307 [TBL] [Abstract][Full Text] [Related]
7. Influence of molecular properties on oral bioavailability of lipophilic drugs - mapping of bulkiness and different measures of polarity. Kuentz MT; Arnold Y Pharm Dev Technol; 2009; 14(3):312-20. PubMed ID: 19235630 [TBL] [Abstract][Full Text] [Related]
8. 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]
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. Characterization of the retention behavior of organic and pharmaceutical drug molecules on an immobilized artificial membrane column with the Abraham model. Sprunger L; Blake-Taylor BH; Wairegi A; Acree WE; Abraham MH J Chromatogr A; 2007 Aug; 1160(1-2):235-45. PubMed ID: 17543312 [TBL] [Abstract][Full Text] [Related]
11. New QSPR study for the prediction of aqueous solubility of drug-like compounds. Duchowicz PR; Talevi A; Bruno-Blanch LE; Castro EA Bioorg Med Chem; 2008 Sep; 16(17):7944-55. PubMed ID: 18701302 [TBL] [Abstract][Full Text] [Related]
12. QSAR-based solubility model for drug-like compounds. Gozalbes R; Pineda-Lucena A Bioorg Med Chem; 2010 Oct; 18(19):7078-84. PubMed ID: 20810286 [TBL] [Abstract][Full Text] [Related]
13. Lead optimization in the nondrug-like space. Zhao H Drug Discov Today; 2011 Feb; 16(3-4):158-63. PubMed ID: 21147254 [TBL] [Abstract][Full Text] [Related]
14. Clustering and rule-based classifications of chemical structures evaluated in the biological activity space. Schuffenhauer A; Brown N; Ertl P; Jenkins JL; Selzer P; Hamon J J Chem Inf Model; 2007; 47(2):325-36. PubMed ID: 17286395 [TBL] [Abstract][Full Text] [Related]
15. Evaluation of an integrated in vitro-in silico PBPK (physiologically based pharmacokinetic) model to provide estimates of human bioavailability. Cai H; Stoner C; Reddy A; Freiwald S; Smith D; Winters R; Stankovic C; Surendran N Int J Pharm; 2006 Feb; 308(1-2):133-9. PubMed ID: 16352407 [TBL] [Abstract][Full Text] [Related]
16. Application of descriptors based on Lipinski's rules in the QSPR study of aqueous solubilities. Duchowicz PR; Talevi A; Bellera C; Bruno-Blanch LE; Castro EA Bioorg Med Chem; 2007 Jun; 15(11):3711-9. PubMed ID: 17418580 [TBL] [Abstract][Full Text] [Related]
17. [Chemoinformatics and virtual screening of molecules for therapeutic use]. Vayer P; Arrault A; Lesur B; Bertrand M; Walther B Med Sci (Paris); 2009 Oct; 25(10):871-7. PubMed ID: 19849994 [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. Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors. Nettles JH; Jenkins JL; Bender A; Deng Z; Davies JW; Glick M J Med Chem; 2006 Nov; 49(23):6802-10. PubMed ID: 17154510 [TBL] [Abstract][Full Text] [Related]
20. Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetration. Al-Fahemi JH; Cooper DL; Allan NL J Mol Graph Model; 2007 Oct; 26(3):607-12. PubMed ID: 17300970 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]