Caricamento...
Predicting pK(a) values from EEM atomic charges
The acid dissociation constant p K(a)is a very important molecular property, and there is a strong interest in the development of reliable and fast methods for p K(a)prediction. We have evaluated the p K(a)prediction capabilities of QSPR models based on empirical atomic charges calculated by the Ele...
Salvato in:
| Autori principali: | , , , , , , , |
|---|---|
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Springer International Publishing
2013
|
| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3663834/ https://ncbi.nlm.nih.gov/pubmed/23574978 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-5-18 |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !
|