QSPR modelling of normal boiling points and octanol/water partition coefficient for acyclic and cyclic hydrocarbons using SMILES-based optimal descriptors

Central European Journal of Chemistry

Volumn 8, Issue 5, 2010, Pages 1047-1052

  Toropov, A A ^a,b   Toropova, A P ^a,b   Benfenati, E ^b  

^a Institute of Geology and Geophysics   (Uzbekistan)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

Applicability domain; Normal boiling point; Octanol water partition coefficient; QSPR; SMILES

Indexed keywords

EID: 77956437746     PISSN: 18951066     EISSN: 16443624     Source Type: Journal    
DOI: 10.2478/s11532-010-0072-5     Document Type: Article

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