205 related articles for article (PubMed ID: 23868768)
1. Dependence of the distribution constant in liquid-liquid partition equilibria on the van der Waals molecular surface area.
Moldoveanu SC; David V
J Sep Sci; 2013 Sep; 36(18):2963-78. PubMed ID: 23868768
[TBL] [Abstract][Full Text] [Related]
2. Predicting octanol/water partition coefficient using solvation free energy and solvent-accessible surface area.
Liu XH; Wu CD; Han SK; Wang LS
J Environ Sci (China); 2001 Jul; 13(3):299-303. PubMed ID: 11590759
[TBL] [Abstract][Full Text] [Related]
3. Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations.
Bhatnagar N; Kamath G; Chelst I; Potoff JJ
J Chem Phys; 2012 Jul; 137(1):014502. PubMed ID: 22779660
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Chromatographic retention prediction and octanol-water partition coefficient determination of monobasic weak acidic compounds in ion-suppression reversed-phase liquid chromatography using acids as ion-suppressors.
Ming X; Han SY; Qi ZC; Sheng D; Lian HZ
Talanta; 2009 Aug; 79(3):752-61. PubMed ID: 19576441
[TBL] [Abstract][Full Text] [Related]
6. High-throughput determination of octanol/water partition coefficients using a shake-flask method and novel two-phase solvent system.
Morikawa G; Suzuka C; Shoji A; Shibusawa Y; Yanagida A
J Pharm Biomed Anal; 2016 Jan; 117():338-44. PubMed ID: 26422471
[TBL] [Abstract][Full Text] [Related]
7. On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy.
Levy RM; Zhang LY; Gallicchio E; Felts AK
J Am Chem Soc; 2003 Aug; 125(31):9523-30. PubMed ID: 12889983
[TBL] [Abstract][Full Text] [Related]
8. Estimation of the phase ratio in reversed-phase high-performance liquid chromatography.
Moldoveanu S; David V
J Chromatogr A; 2015 Feb; 1381():194-201. PubMed ID: 25618362
[TBL] [Abstract][Full Text] [Related]
9. The non-polar solvent potential of mean force for the dimerization of alanine dipeptide: the role of solute-solvent van der Waals interactions.
Su Y; Gallicchio E
Biophys Chem; 2004 May; 109(2):251-60. PubMed ID: 15110943
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Estimation of the effect of NaCl on the solubility of organic compounds in aqueous solutions.
Ni N; El-Sayed MM; Sanghvi T; Yalkowsky SH
J Pharm Sci; 2000 Dec; 89(12):1620-5. PubMed ID: 11042610
[TBL] [Abstract][Full Text] [Related]
12. Optimizing solute-water van der Waals interactions to reproduce solvation free energies.
Nerenberg PS; Jo B; So C; Tripathy A; Head-Gordon T
J Phys Chem B; 2012 Apr; 116(15):4524-34. PubMed ID: 22443635
[TBL] [Abstract][Full Text] [Related]
13. Determination of octanol/water partition coefficients for long-chain homologs of orcinol from cereal grains.
Kozubek A
Acta Biochim Pol; 1995; 42(2):247-51. PubMed ID: 8588472
[TBL] [Abstract][Full Text] [Related]
14. Novel hydrophobicity ruler approach for determining the octanol/water partition coefficients of very hydrophobic compounds via their polymer/solvent solution distribution coefficients.
Kong XQ; Shea D; Gebreyes WA; Xia XR
Anal Chem; 2005 Mar; 77(5):1275-81. PubMed ID: 15732907
[TBL] [Abstract][Full Text] [Related]
15. Spatial decomposition of solvation free energy based on the 3D integral equation theory of molecular liquid: application to miniproteins.
Yamazaki T; Kovalenko A
J Phys Chem B; 2011 Jan; 115(2):310-8. PubMed ID: 21166382
[TBL] [Abstract][Full Text] [Related]
16. A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free Energies.
Correa GB; Maciel JCSL; Tavares FW; Abreu CRA
J Chem Theory Comput; 2022 Oct; 18(10):5876-5889. PubMed ID: 36189930
[TBL] [Abstract][Full Text] [Related]
17. Determination of physicochemical properties of small molecules by reversed-phase liquid chromatography.
Poole CF; Atapattu SN
J Chromatogr A; 2020 Aug; 1626():461427. PubMed ID: 32739066
[TBL] [Abstract][Full Text] [Related]
18. Experimental determination of solvent-water partition coefficients and Abraham parameters for munition constituents.
Liang Y; Kuo DTF; Allen HE; Di Toro DM
Chemosphere; 2016 Oct; 161():429-437. PubMed ID: 27448756
[TBL] [Abstract][Full Text] [Related]
19. Lipophilic and electrostatic forces encoded in IAM-HPLC indexes of basic drugs: their role in membrane partition and their relationships with BBB passage data.
Grumetto L; Carpentiero C; Barbato F
Eur J Pharm Sci; 2012 Apr; 45(5):685-92. PubMed ID: 22306648
[TBL] [Abstract][Full Text] [Related]
20. Prediction of Setschenow constants.
Ni N; Yalkowsky SH
Int J Pharm; 2003 Mar; 254(2):167-72. PubMed ID: 12623192
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]