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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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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2015
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| 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 |