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Predictive Quantitative Structure–Activity Relationship Modeling of the Antifungal and Antibiotic Properties of Triazolothiadiazine Compounds

Predictive models were developed using two-dimensional quantitative structure activity relationship (QSAR) methods coupled with B3LYP/6-311+G** density functional theory modeling that describe the antimicrobial properties of twenty-four triazolothiadiazine compounds against Aspergillus niger, Asperg...

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Vydáno v:Methods Protoc
Hlavní autoři: Appell, Michael, Compton, David L., Evans, Kervin O.
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI 2020
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7838911/
https://ncbi.nlm.nih.gov/pubmed/33375476
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/mps4010002
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