A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogP(O/W), LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability

A generally applicable computer algorithm for the calculation of the seven molecular descriptors heat of combustion, logP(octanol/water), logS (water solubility), molar refractivity, molecular polarizability, aqueous toxicity (protozoan growth inhibition) and logBB (log (c(blood)/c(brain))) is prese...

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Detalles Bibliográficos
Autor principal: Naef, Rudolf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332030/
https://www.ncbi.nlm.nih.gov/pubmed/26457702
http://dx.doi.org/10.3390/molecules201018279

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332030/
https://www.ncbi.nlm.nih.gov/pubmed/26457702
http://dx.doi.org/10.3390/molecules201018279

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