Alignment independent 3D-QSAR modeling of fullerene (C 60) solubility in different organic solvents

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 21, Issue 5, 2013, Pages 367-380

  Ghasemi, Jahan B ^a   Salahinejad, Maryam ^b   Rofouei, M K ^b  

^a K N TOOSI UNIVERSITY OF TECHNOLOGY   (Iran)

^b KHARAZMI UNIVERSITY   (Iran)

Author keywords

3D QSAR; Fullerene (C 60); GRIND; solubility; VolSurf

Indexed keywords

3D-QSAR; DESCRIPTORS; EXCELLENT PERFORMANCE; FRACTIONAL FACTORIAL DESIGNS; GRIND; HYDROPHOBIC INTERACTIONS; LEAVE-ONE-OUT; MODEL CONSTRUCTION; MOLECULAR INTERACTION FIELDS; PLS ANALYSIS; PREDICTIVE MODELS; PROGRESSIVE SCRAMBLING; PROJECTION ALGORITHMS; RELIABILITY AND ROBUSTNESS; STERIC EFFECT; TEST SETS; THREE-DIMENSIONAL QUANTITATIVE STRUCTURES; VOLSURF;

ALIGNMENT; COMPUTATIONAL CHEMISTRY; FORECASTING; FULLERENES; MOLECULAR GRAPHICS; ORGANIC SOLVENTS; SOLUBILITY; SUPPORT VECTOR MACHINES; THREE DIMENSIONAL COMPUTER GRAPHICS;

THREE DIMENSIONAL;

EID: 84868153259     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1080/1536383X.2011.629751     Document Type: Article

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