Results 281 to 290 of about 3,260,181 (300)

Developing a methodology for an inverse quantitative structure-activity relationship using the signature molecular descriptor

Journal of Molecular Graphics and Modelling, 2002
Donald Visco, Jean-Loup Faulon
exaly  

Medicinal Chemistry Meets Electrochemistry: Redox Potential in the Role of Endpoint or Molecular Descriptor in QSAR/QSPR

Mini-Reviews in Medicinal Chemistry, 2020
Karel Nesměrák
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
Manuel Nogueras, Justo Cobo Domingo, Ricardo Enriz   +2 more
exaly  

Molecular Descriptors for Chemoinformatics

2009
Roberto Todeschini, Viviana Consonni
openaire   +1 more source

Molecular Descriptors

2007
openaire   +1 more source

Handbook of Molecular Descriptors

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

Novel molecular descriptor for structure—property studies

Chemical Physics Letters, 1993
Milan Randic
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

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  

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

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