178 related articles for article (PubMed ID: 11718478)
1. Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure.
Livingstone DJ; Ford MG; Huuskonen JJ; Salt DW
J Comput Aided Mol Des; 2001 Aug; 15(8):741-52. PubMed ID: 11718478
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. A neural network based prediction of octanol-water partition coefficients using atomic5 fragmental descriptors.
Molnár L; Keseru GM; Papp A; Gulyás Z; Darvas F
Bioorg Med Chem Lett; 2004 Feb; 14(4):851-3. PubMed ID: 15012980
[TBL] [Abstract][Full Text] [Related]
4. Prediction of partition coefficient based on atom-type electrotopological state indices.
Huuskonen JJ; Villa AE; Tetko IV
J Pharm Sci; 1999 Feb; 88(2):229-33. PubMed ID: 9950643
[TBL] [Abstract][Full Text] [Related]
5. TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility.
Wu K; Zhao Z; Wang R; Wei GW
J Comput Chem; 2018 Jul; 39(20):1444-1454. PubMed ID: 29633287
[TBL] [Abstract][Full Text] [Related]
6. Application of TLSER method in predicting the aqueous solubility and n-octanol/water partition coefficient of PCBs, PCDDs and PCDFs.
Huang J; Yu G; Zhang ZL; Wang YL; Zhu WH; Wu GS
J Environ Sci (China); 2004; 16(1):21-9. PubMed ID: 14971446
[TBL] [Abstract][Full Text] [Related]
7. Structural Relationship Study of Octanol-Water Partition Coefficient of Some Sulfa Drugs Using GA-MLR and GA-ANN Methods.
Dadfar E; Shafiei F; Isfahani TM
Curr Comput Aided Drug Des; 2020; 16(3):207-221. PubMed ID: 32507103
[TBL] [Abstract][Full Text] [Related]
8. Modeling aqueous solubility.
Butina D; Gola JM
J Chem Inf Comput Sci; 2003; 43(3):837-41. PubMed ID: 12767141
[TBL] [Abstract][Full Text] [Related]
9. Externally predictive single-descriptor based QSPRs for physico-chemical properties of polychlorinated-naphthalenes: Exploring relationships of logS(W), logK(OA), and logK(OW) with electron-correlation.
Chayawan ; Vikas
J Hazard Mater; 2015 Oct; 296():68-81. PubMed ID: 25913673
[TBL] [Abstract][Full Text] [Related]
10. Comparison of Multiple Linear Regressions and Neural Networks based QSAR models for the design of new antitubercular compounds.
Ventura C; Latino DA; Martins F
Eur J Med Chem; 2013; 70():831-45. PubMed ID: 24246731
[TBL] [Abstract][Full Text] [Related]
11. Computational prediction of octanol-water partition coefficient based on the extended solvent-contact model.
Kim T; Park H
J Mol Graph Model; 2015 Jul; 60():108-17. PubMed ID: 26142695
[TBL] [Abstract][Full Text] [Related]
12. Prediction of n-octanol/water partition coefficients for polychlorinated dibenzo-p-dioxins using a general regression neural network.
Zheng G; Huang WH; Lu XH
Anal Bioanal Chem; 2003 Jul; 376(5):680-5. PubMed ID: 12761606
[TBL] [Abstract][Full Text] [Related]
13. Quantitative structure-property relationship study of n-octanol-water partition coefficients of some of diverse drugs using multiple linear regression.
Ghasemi J; Saaidpour S
Anal Chim Acta; 2007 Dec; 604(2):99-106. PubMed ID: 17996529
[TBL] [Abstract][Full Text] [Related]
14. QSPR modeling of n-octanol/water partition coefficients and water solubility of PCDEs by the method of Cl substitution position.
Chen SD; Zeng XL; Wang ZY; Liu HX
Sci Total Environ; 2007 Aug; 382(1):59-69. PubMed ID: 17531292
[TBL] [Abstract][Full Text] [Related]
15. Salinity impacts on water solubility and n-octanol/water partition coefficients of selected pesticides and oil constituents.
Saranjampour P; Vebrosky EN; Armbrust KL
Environ Toxicol Chem; 2017 Sep; 36(9):2274-2280. PubMed ID: 28262987
[TBL] [Abstract][Full Text] [Related]
16. Prediction of physicochemical properties based on neural network modelling.
Taskinen J; Yliruusi J
Adv Drug Deliv Rev; 2003 Sep; 55(9):1163-83. PubMed ID: 12954197
[TBL] [Abstract][Full Text] [Related]
17. Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: part 2. Aqueous solubility, octanol solubility and octanol-water partition coefficient.
Admire B; Lian B; Yalkowsky SH
Chemosphere; 2015 Jan; 119():1441-1446. PubMed ID: 25454206
[TBL] [Abstract][Full Text] [Related]
18. QSPR prediction of aqueous solubility of drug-like organic compounds.
Ghasemi J; Saaidpour S
Chem Pharm Bull (Tokyo); 2007 Apr; 55(4):669-74. PubMed ID: 17409570
[TBL] [Abstract][Full Text] [Related]
19. Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods.
Yan A; Gasteiger J; Krug M; Anzali S
J Comput Aided Mol Des; 2004 Feb; 18(2):75-87. PubMed ID: 15287695
[TBL] [Abstract][Full Text] [Related]
20. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects.
Piir G; Sild S; Roncaglioni A; Benfenati E; Maran U
SAR QSAR Environ Res; 2010 Oct; 21(7-8):711-29. PubMed ID: 21120758
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
