Results 321 to 330 of about 34,759 (340)

Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular descriptor

Bioorganic and Medicinal Chemistry Letters, 2005
Padmakar V Khadikar
exaly  

The electronic density obtained from a QTAIM analysis used as molecular descriptor. A study performed in a new series of DHFR inhibitors

Journal of Molecular Structure, 2017
Marcela Vettorazzi, Emilio Angelina, Fernando D Suvire   +2 more
exaly  

Molecular descriptor selection combining genetic algorithms and fuzzy logic: application to database mining procedures

Chemometrics and Intelligent Laboratory Systems, 2002
Frédéric Ros, Marco Pintore, Jacques R Chretien   +2 more
exaly  

Families of Molecular Descriptors

2020
Lorentz Jäntschi, Sorana D. Bolboacă
openaire   +1 more source

On the Calculation of the Molecular Descriptor '/.

J. Chem. Inf. Comput. Sci., 1998
Dejan Plavsic, Milan Soskic, Nella Lers
openaire   +1 more source

Investigation of a novel molecular descriptor for the lead optimization of 4-aminoquinazolines as vascular endothelial growth factor receptor-2 inhibitors: Application for quantitative structure–activity relationship analysis in lead optimization

Bioorganic and Medicinal Chemistry Letters, 2011
Wendy E Kurata, Alan F Lau
exaly  

Handbook of Molecular Descriptors

2000
TODESCHINI, ROBERTO, CONSONNI, VIVIANA
openaire   +1 more source

EEVA (Electronic Eigenvalue): A New QSAR/QSPR Descriptor for Electronic Substituent Effects Based on Molecular Orbital Energies

SAR and QSAR in Environmental Research, 1999
K Tuppurainen
exaly  

Generation of Descriptors from Molecular Structures

Journal of Chemical Information and Computer Sciences, 1976
W. E. Brugger, A. J. Stuper, Peter C. Jurs   +2 more
openaire   +1 more source

Novel molecular descriptor for structure—property studies

Chemical Physics Letters, 1993
Milan Randic
exaly