Quantitative prediction of solvation free energy in octanol of organic compounds

International Journal of Molecular Sciences

Volumn 10, Issue 3, 2009, Pages 1031-1044

  Delgado, Eduardo J ^a   Jaña, Gonzalo A ^a  

^a UNIVERSITY OF CONCEPCIÓN   (Chile)

Author keywords

Octanol; Organic compounds; QSPR; Solvation free energy

Indexed keywords

ALCOHOL DERIVATIVE; ALDEHYDE DERIVATIVE; ALKANE DERIVATIVE; ALKYNE DERIVATIVE; AMINE; ANILINE; AROMATIC COMPOUND; BENZONITRILE; ESTER DERIVATIVE; ETHER DERIVATIVE; KETONE DERIVATIVE; MORPHOLINE; OCTANOL; PIPERAZINE; PIPERIDINE; PYRAZINE DERIVATIVE; PYRIDINE DERIVATIVE;

ARTICLE; ENERGY; LIQUID; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SOLVATION; STATISTICAL MODEL;

OCTANOL; ORGANIC COMPOUNDS; QSPR; SOLVATION FREE ENERGY;

LINEAR MODELS; OCTANOLS; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOLVENTS; THERMODYNAMICS;

EID: 63449133973     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms11030031     Document Type: Article

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