166 related articles for article (PubMed ID: 1869898)
1. Development of an automatic estimation system for both the partition coefficient and aqueous solubility.
Suzuki T
J Comput Aided Mol Des; 1991 Apr; 5(2):149-66. PubMed ID: 1869898
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Buckminsterfullerene's (C60) octanol-water partition coefficient (Kow) and aqueous solubility.
Jafvert CT; Kulkarni PP
Environ Sci Technol; 2008 Aug; 42(16):5945-50. PubMed ID: 18767649
[TBL] [Abstract][Full Text] [Related]
4. Comments on prediction of the aqueous solubility using the general solubility equation (GSE) versus a genetic algorithm and a support vector machine model.
Alantary D; Yalkowsky S
Pharm Dev Technol; 2018 Sep; 23(7):739-740. PubMed ID: 28425310
[TBL] [Abstract][Full Text] [Related]
5. Octanol-water partition coefficient measurements for the SAMPL6 blind prediction challenge.
Işık M; Levorse D; Mobley DL; Rhodes T; Chodera JD
J Comput Aided Mol Des; 2020 Apr; 34(4):405-420. PubMed ID: 31858363
[TBL] [Abstract][Full Text] [Related]
6. Theoretical property predictions.
Livingstone DJ
Curr Top Med Chem; 2003; 3(10):1171-92. PubMed ID: 12769715
[TBL] [Abstract][Full Text] [Related]
7. Solubility and partitioning IV: Aqueous solubility and octanol-water partition coefficients of liquid nonelectrolytes.
Valvani SC; Yalkowsky SH; Roseman TJ
J Pharm Sci; 1981 May; 70(5):502-7. PubMed ID: 7241352
[TBL] [Abstract][Full Text] [Related]
8. Automatic log P estimation based on combined additive modeling methods.
Suzuki T; Kudo Y
J Comput Aided Mol Des; 1990 Jun; 4(2):155-98. PubMed ID: 2213063
[TBL] [Abstract][Full Text] [Related]
9. Estimation of the ethanol/water solubility profile from the octanol/water partition coefficient.
Machatha SG; Yalkowsky SH
Int J Pharm; 2004 Nov; 286(1-2):111-5. PubMed ID: 15501007
[TBL] [Abstract][Full Text] [Related]
10. Improved prediction of octanol-water partition coefficients from liquid-solute water solubilities and molar volumes.
Chiou CT; Schmedding DW; Manes M
Environ Sci Technol; 2005 Nov; 39(22):8840-6. PubMed ID: 16323784
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Recent methodologies for the estimation of n-octanol/water partition coefficients and their use in the prediction of membrane transport properties of drugs.
Klopman G; Zhu H
Mini Rev Med Chem; 2005 Feb; 5(2):127-33. PubMed ID: 15720283
[TBL] [Abstract][Full Text] [Related]
13. Halogenated methyl-phenyl ethers (anisoles) in the environment: determination of vapor pressures, aqueous solubilities, Henry's law constants, and gas/water- (Kgw), n-octanol/water- (Kow) and gas/n-octanol (Kgo) partition coefficients.
Pfeifer O; Lohmann U; Ballschmiter K
Fresenius J Anal Chem; 2001 Nov; 371(5):598-606. PubMed ID: 11767885
[TBL] [Abstract][Full Text] [Related]
14. Comparison of the octanol/water partition coefficients calculated by ClogP, ACDlogP and KowWin to experimentally determined values.
Machatha SG; Yalkowsky SH
Int J Pharm; 2005 Apr; 294(1-2):185-92. PubMed ID: 15814243
[TBL] [Abstract][Full Text] [Related]
15. Determination and estimation of water solubilities and octanol/water partition coefficients for derivates of benzanilides.
Dai J; Jin L; Wang L; Zhang Z
Chemosphere; 1998 Oct; 37(8):1419-26. PubMed ID: 9753760
[TBL] [Abstract][Full Text] [Related]
16. Estimation of octanol-water partition coefficients from a molecular similarity parameter.
Cash GG
Chemosphere; 1996 Nov; 33(10):2081-7. PubMed ID: 8930106
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Solubility and partitioning VI: octanol solubility and octanol-water partition coefficients.
Yalkowsky SH; Valvani SC; Roseman TJ
J Pharm Sci; 1983 Aug; 72(8):866-70. PubMed ID: 6620139
[TBL] [Abstract][Full Text] [Related]
19. Aqueous solubility, Henry's law constants and air/water partition coefficients of n-octane and two halogenated octanes.
Sarraute S; Delepine H; Costa Gomes MF; Majer V
Chemosphere; 2004 Dec; 57(10):1543-51. PubMed ID: 15519399
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
