533 related articles for article (PubMed ID: 18186622)
1. Why are some properties more difficult to predict than others? A study of QSPR models of solubility, melting point, and Log P.
Hughes LD; Palmer DS; Nigsch F; Mitchell JB
J Chem Inf Model; 2008 Jan; 48(1):220-32. PubMed ID: 18186622
[TBL] [Abstract][Full Text] [Related]
2. Scores of extended connectivity fingerprint as descriptors in QSPR study of melting point and aqueous solubility.
Zhou D; Alelyunas Y; Liu R
J Chem Inf Model; 2008 May; 48(5):981-7. PubMed ID: 18465850
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Prediction of the aqueous solubility of benzylamine salts using QSPR model.
Tantishaiyakul V
J Pharm Biomed Anal; 2005 Feb; 37(2):411-5. PubMed ID: 15708687
[TBL] [Abstract][Full Text] [Related]
5. Prediction of aqueous solubility from SCRATCH.
Jain P; Yalkowsky SH
Int J Pharm; 2010 Jan; 385(1-2):1-5. PubMed ID: 19819319
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Quantitative structure-property relationship of aromatic sulfur-containing carboxylates.
Liu XH; Yang ZF; Wang LS
J Environ Sci (China); 2003 Nov; 15(6):721-7. PubMed ID: 14758887
[TBL] [Abstract][Full Text] [Related]
8. QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
Toropov AA; Toropova AP; Raska I
Eur J Med Chem; 2008 Apr; 43(4):714-40. PubMed ID: 17629592
[TBL] [Abstract][Full Text] [Related]
9. Quantitative structure-property relationships (QSPR) for steroidal compounds of environmental importance.
Cao Q; Garib V; Yu Q; Connell DW; Campitelli M
Chemosphere; 2009 Jul; 76(4):453-9. PubMed ID: 19394998
[TBL] [Abstract][Full Text] [Related]
10. QSPR models for polychlorinated biphenyls: n-Octanol/water partition coefficient.
Padmanabhan J; Parthasarathi R; Subramanian V; Chattaraj PK
Bioorg Med Chem; 2006 Feb; 14(4):1021-8. PubMed ID: 16214354
[TBL] [Abstract][Full Text] [Related]
11. Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins.
Raska I; Toropov A
Eur J Med Chem; 2006 Nov; 41(11):1271-8. PubMed ID: 16920228
[TBL] [Abstract][Full Text] [Related]
12. Physicochemical properties/descriptors governing the solubility and partitioning of chemicals in water-solvent-gas systems. Part 2. Solubility in 1-octanol.
Raevsky OA; Perlovich GL; Schaper KJ
SAR QSAR Environ Res; 2007; 18(5-6):543-78. PubMed ID: 17654337
[TBL] [Abstract][Full Text] [Related]
13. The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies.
Faulon JL; Visco DP; Pophale RS
J Chem Inf Comput Sci; 2003; 43(3):707-20. PubMed ID: 12767129
[TBL] [Abstract][Full Text] [Related]
14. Prediction of aqueous solubility and partition coefficient optimized by a genetic algorithm based descriptor selection method.
Wegner JK; Zell A
J Chem Inf Comput Sci; 2003; 43(3):1077-84. PubMed ID: 12767167
[TBL] [Abstract][Full Text] [Related]
15. General melting point prediction based on a diverse compound data set and artificial neural networks.
Karthikeyan M; Glen RC; Bender A
J Chem Inf Model; 2005; 45(3):581-90. PubMed ID: 15921448
[TBL] [Abstract][Full Text] [Related]
16. Molecular descriptors influencing melting point and their role in classification of solid drugs.
Bergström CA; Norinder U; Luthman K; Artursson P
J Chem Inf Comput Sci; 2003; 43(4):1177-85. PubMed ID: 12870909
[TBL] [Abstract][Full Text] [Related]
17. QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations.
Toropov AA; Toropova AP; Raska I; Benfenati E
Eur J Med Chem; 2010 Apr; 45(4):1639-47. PubMed ID: 20106561
[TBL] [Abstract][Full Text] [Related]
18. Prediction of aqueous solubility based on large datasets using several QSPR models utilizing topological structure representation.
Votano JR; Parham M; Hall LH; Kier LB; Hall LM
Chem Biodivers; 2004 Nov; 1(11):1829-41. PubMed ID: 17191819
[TBL] [Abstract][Full Text] [Related]
19. Predicting physico-chemical properties of polychlorinated diphenyl ethers (PCDEs): potential persistent organic pollutants (POPs).
Huang J; Yu G; Yang X; Zhang ZL
J Environ Sci (China); 2004; 16(2):204-7. PubMed ID: 15137639
[TBL] [Abstract][Full Text] [Related]
20. Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization.
Nigsch F; Bender A; van Buuren B; Tissen J; Nigsch E; Mitchell JB
J Chem Inf Model; 2006; 46(6):2412-22. PubMed ID: 17125183
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
