Molecular interaction fields based descriptors to interpret and compare chromatographic indexes

Journal of Chromatography A

Volumn 1252, Issue , 2012, Pages 84-89

  Ermondi, G ^a   Caron, G ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

Chromatographic index; Logk; Molecular interaction fields; PLS; VolSurf+

Indexed keywords

CHROMATOGRAPHIC INDEX; LOGK; MOLECULAR INTERACTION FIELDS; PLS; VOLSURF+;

MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE;

CHROMATOGRAPHY;

ARTICLE; CHEMICAL STRUCTURE; CHROMATOGRAPHY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR INTERACTION; PARTITION COEFFICIENT; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION;

AMITROLE; CHROMATOGRAPHY; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LEAST-SQUARES ANALYSIS; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 84864564683     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2012.06.069     Document Type: Article

References (18)

1. Caron G., Scherrer R.A., Ermondi G. Comprehensive Medicinal Chemistry 2006, 5:425. Elsevier, Oxford, UK. 2nd ed.
2. Kaliszan R. Chem. Rev. 2007, 107:3212.
3. Valko K. J. Chromatogr. A 2004, 1037:299.
4. Poole S.K., Poole C.F. J. Chromatogr. B 2003, 797:3.
5. Lombardo F., Shalaeva M.Y., Tupper K.A., Gao F., Abraham M.H. J. Med. Chem. 2000, 43:2922.
6. Put R., Vander Heyden Y. Anal. Chim. Acta 2007, 602:164.
7. Abraham M.H. Chem. Soc. Rev. 1993, 14:153.
8. Platts J., Abraham M., Butina D., Hersey A. J. Chem. Inf. Comput. Sci. 2000, 40:71.
9. Tülp H.C., Goss K.-U., Schwarzenbach R.P., Fenner K. Environ. Sci. Technol. 2008, 42:2034.
10. Caron G., Ermondi G. Molecular Drug Properties: Measurement and Prediction 2008, 315. Wiley-VCH Verlag GmbH & Co, KGaA, Weinheim, Germany. R. Mannhold (Ed.).
11. Cruciani G., Crivori P., Carrupt P.A., Testa B. J. Mol. Struct. (Theochem) 2000, 503:17.
12. Crivori P., Cruciani G., Carrupt P.A., Testa B. J. Med. Chem. 2000, 43:2204.
13. Caron G., Ermondi G. J. Med. Chem. 2005, 48:3269.
14. Caron G., Ravera M., Ermondi G. Pharm. Res. 2011, 28:640.
15. Wold S., Sjostrom M., Eriksson L. Chemometr. Intell. Lab. 2001, 58:109.
16. Scior T., Medina-Franco J.L., Do Q.-T., Martínez-Mayorga K., a Yunes Rojas J., Bernard P. Curr. Med. Chem. 2009, 16:4297.
17. Tropsha A., Gramatica P., Gombar V.K. QSAR Comb. Sci. 2003, 22:69.
18. Buszewski B., Noga S. Anal. Bioanal. Chem. 2012, 402:231.