210 related articles for article (PubMed ID: 14965289)
1. Comparison of predictive ability of water solubility QSPR models generated by MLR, PLS and ANN methods.
Erös D; Kéri G; Kövesdi I; Szántai-Kis C; Mészáros G; Orfi L
Mini Rev Med Chem; 2004 Feb; 4(2):167-77. PubMed ID: 14965289
[TBL] [Abstract][Full Text] [Related]
2. Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques.
Roy K; Pratim Roy P
Eur J Med Chem; 2009 Jul; 44(7):2913-22. PubMed ID: 19128860
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. 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]
5. 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]
6. Chemometrics-assisted simultaneous voltammetric determination of ascorbic acid, uric acid, dopamine and nitrite: application of non-bilinear voltammetric data for exploiting first-order advantage.
Gholivand MB; Jalalvand AR; Goicoechea HC; Skov T
Talanta; 2014 Feb; 119():553-63. PubMed ID: 24401455
[TBL] [Abstract][Full Text] [Related]
7. Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network.
Golmohammadi H
J Comput Chem; 2009 Nov; 30(15):2455-65. PubMed ID: 19360793
[TBL] [Abstract][Full Text] [Related]
8. Development of linear and nonlinear predictive QSAR models and their external validation using molecular similarity principle for anti-HIV indolyl aryl sulfones.
Roy K; Mandal AS
J Enzyme Inhib Med Chem; 2008 Dec; 23(6):980-95. PubMed ID: 18608761
[TBL] [Abstract][Full Text] [Related]
9. Wavelet neural network modeling in QSPR for prediction of solubility of 25 anthraquinone dyes at different temperatures and pressures in supercritical carbon dioxide.
Tabaraki R; Khayamian T; Ensafi AA
J Mol Graph Model; 2006 Sep; 25(1):46-54. PubMed ID: 16337156
[TBL] [Abstract][Full Text] [Related]
10. Exploring QSARs of vascular endothelial growth factor receptor-2 (VEGFR-2) tyrosine kinase inhibitors by MLR, PLS and PC-ANN.
Deeb O; Jawabreh S; Goodarzi M
Curr Pharm Des; 2013; 19(12):2237-44. PubMed ID: 23016841
[TBL] [Abstract][Full Text] [Related]
11. Estimation of aqueous solubility of organic compounds with QSPR approach.
Gao H; Shanmugasundaram V; Lee P
Pharm Res; 2002 Apr; 19(4):497-503. PubMed ID: 12033386
[TBL] [Abstract][Full Text] [Related]
12. Prediction of solubility of aliphatic alcohols using the restricted components of autocorrelation method (RCAM).
Nohair M; Zakarya D
J Mol Model; 2003 Dec; 9(6):365-71. PubMed ID: 12938019
[TBL] [Abstract][Full Text] [Related]
13. Predicting water solubility of congeners: chloronaphthalenes--a case study.
Puzyn T; Mostrag A; Falandysz J; Kholod Y; Leszczynski J
J Hazard Mater; 2009 Oct; 170(2-3):1014-22. PubMed ID: 19524360
[TBL] [Abstract][Full Text] [Related]
14. In silico ADME modelling 2: computational models to predict human serum albumin binding affinity using ant colony systems.
Gunturi SB; Narayanan R; Khandelwal A
Bioorg Med Chem; 2006 Jun; 14(12):4118-29. PubMed ID: 16504519
[TBL] [Abstract][Full Text] [Related]
15. A universal molecular descriptor system for prediction of logP, logS, logBB, and absorption.
Sun H
J Chem Inf Comput Sci; 2004; 44(2):748-57. PubMed ID: 15032557
[TBL] [Abstract][Full Text] [Related]
16. Quantitative structure/property relationship analysis on aqueous solubility using genetic algorithm-combined partial least squares method.
Wanchana S; Yamashita F; Hashida M
Pharmazie; 2002 Feb; 57(2):127-9. PubMed ID: 11878188
[TBL] [Abstract][Full Text] [Related]
17. Measurement and ANN prediction of pH-dependent solubility of nitrogen-heterocyclic compounds.
Sun F; Yu Q; Zhu J; Lei L; Li Z; Zhang X
Chemosphere; 2015 Sep; 134():402-7. PubMed ID: 25985098
[TBL] [Abstract][Full Text] [Related]
18. SVM approach for predicting LogP.
Liao Q; Yao J; Yuan S
Mol Divers; 2006 Aug; 10(3):301-9. PubMed ID: 17031534
[TBL] [Abstract][Full Text] [Related]
19. Predicting blood β-hydroxybutyrate using milk Fourier transform infrared spectrum, milk composition, and producer-reported variables with multiple linear regression, partial least squares regression, and artificial neural network.
Pralle RS; Weigel KW; White HM
J Dairy Sci; 2018 May; 101(5):4378-4387. PubMed ID: 29477523
[TBL] [Abstract][Full Text] [Related]
20. Prediction of polar surface area of drug molecules: a QSPR approach.
Noorizadeh H; Farmany A; Noorizadeh M; Kohzadi M
Drug Test Anal; 2013 Apr; 5(4):222-7. PubMed ID: 21539000
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
