294 related articles for article (PubMed ID: 17629304)
1. In silico prediction of ionization constants of drugs.
Lee PH; Ayyampalayam SN; Carreira LA; Shalaeva M; Bhattachar S; Coselmon R; Poole S; Gifford E; Lombardo F
Mol Pharm; 2007; 4(4):498-512. PubMed ID: 17629304
[TBL] [Abstract][Full Text] [Related]
2. New and original pKa prediction method using grid molecular interaction fields.
Milletti F; Storchi L; Sforna G; Cruciani G
J Chem Inf Model; 2007; 47(6):2172-81. PubMed ID: 17910431
[TBL] [Abstract][Full Text] [Related]
3. In silico pKa prediction and ADME profiling.
Cruciani G; Milletti F; Storchi L; Sforna G; Goracci L
Chem Biodivers; 2009 Nov; 6(11):1812-21. PubMed ID: 19937818
[TBL] [Abstract][Full Text] [Related]
4. Estimation of pKa for druglike compounds using semiempirical and information-based descriptors.
Jelfs S; Ertl P; Selzer P
J Chem Inf Model; 2007; 47(2):450-9. PubMed ID: 17381168
[TBL] [Abstract][Full Text] [Related]
5. Prediction of pH-dependent aqueous solubility of druglike molecules.
Hansen NT; Kouskoumvekaki I; Jørgensen FS; Brunak S; Jónsdóttir SO
J Chem Inf Model; 2006; 46(6):2601-9. PubMed ID: 17125200
[TBL] [Abstract][Full Text] [Related]
6. Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compound.
Tetko IV; Poda GI; Ostermann C; Mannhold R
Chem Biodivers; 2009 Nov; 6(11):1837-44. PubMed ID: 19937825
[TBL] [Abstract][Full Text] [Related]
7. Development and validation of in silico models for estimating drug preformulation risk in PEG400/water and Tween80/water systems.
Crivori P; Morelli A; Pezzetta D; Rocchetti M; Poggesi I
Eur J Pharm Sci; 2007 Nov; 32(3):169-81. PubMed ID: 17714921
[TBL] [Abstract][Full Text] [Related]
8. A computational model for the prediction of aqueous solubility that includes crystal packing, intrinsic solubility, and ionization effects.
Johnson SR; Chen XQ; Murphy D; Gudmundsson O
Mol Pharm; 2007; 4(4):513-23. PubMed ID: 17539661
[TBL] [Abstract][Full Text] [Related]
9. Solubility prediction of drugs in water-cosolvent mixtures using Abraham solvation parameters.
Jouyban A; Soltanpour Sh; Soltani S; Chan HK; Acree WE
J Pharm Pharm Sci; 2007; 10(3):263-77. PubMed ID: 17727790
[TBL] [Abstract][Full Text] [Related]
10. Predicting blood-brain barrier penetration of drugs using an artificial neural network.
Fu XC; Wang GP; Liang WQ; Yu QS
Pharmazie; 2004 Feb; 59(2):126-30. PubMed ID: 15025181
[TBL] [Abstract][Full Text] [Related]
11. Prediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationships.
Cheng A; Merz KM
J Med Chem; 2003 Aug; 46(17):3572-80. PubMed ID: 12904062
[TBL] [Abstract][Full Text] [Related]
12. Computational determination of aqueous pKa values of protonated benzimidazoles (part 1).
Brown TN; Mora-Diez N
J Phys Chem B; 2006 May; 110(18):9270-9. PubMed ID: 16671744
[TBL] [Abstract][Full Text] [Related]
13. Computational determination of aqueous pKa values of protonated benzimidazoles (Part 2).
Brown TN; Mora-Diez N
J Phys Chem B; 2006 Oct; 110(41):20546-54. PubMed ID: 17034242
[TBL] [Abstract][Full Text] [Related]
14. Global and local computational models for aqueous solubility prediction of drug-like molecules.
Bergström CA; Wassvik CM; Norinder U; Luthman K; Artursson P
J Chem Inf Comput Sci; 2004; 44(4):1477-88. PubMed ID: 15272856
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. 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]
17. Development of reliable aqueous solubility models and their application in druglike analysis.
Wang J; Krudy G; Hou T; Zhang W; Holland G; Xu X
J Chem Inf Model; 2007; 47(4):1395-404. PubMed ID: 17569522
[TBL] [Abstract][Full Text] [Related]
18. QSPR correlation of melting point for drug compounds based on different sources of molecular descriptors.
Modarresi H; Dearden JC; Modarress H
J Chem Inf Model; 2006; 46(2):930-6. PubMed ID: 16563024
[TBL] [Abstract][Full Text] [Related]
19. In silico prediction of aqueous solubility: a multimodel protocol based on chemical similarity.
Chevillard F; Lagorce D; Reynès C; Villoutreix BO; Vayer P; Miteva MA
Mol Pharm; 2012 Nov; 9(11):3127-35. PubMed ID: 23072744
[TBL] [Abstract][Full Text] [Related]
20. In silico prediction of harmful effects triggered by drugs and chemicals.
Vedani A; Dobler M; Lill MA
Toxicol Appl Pharmacol; 2005 Sep; 207(2 Suppl):398-407. PubMed ID: 16045954
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]