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...

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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

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