An Improved QSPR Modeling of Hydrocarbon Dipole Moments

Dipole moments of hydrocarbons are not an easy property to model with conventional 2D descriptors. A comparison of the performance of the most commonly used sets of topological descriptors is presented, each set containing descriptors derived from the regular and Detour distance matrix, Electrotopol...

Descripción completa

Detalles Bibliográficos
Autores principales: Nesterov, Igor V., Toropov, Andrey A., Duchowicz, Pablo R., Castro, Eduardo A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: TheScientificWorldJOURNAL 2004
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956485/
https://www.ncbi.nlm.nih.gov/pubmed/15578118
http://dx.doi.org/10.1100/tsw.2004.193

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956485/
https://www.ncbi.nlm.nih.gov/pubmed/15578118
http://dx.doi.org/10.1100/tsw.2004.193

Ejemplares similares