Učitavanje...
Comparative QSTR Study Using Semi-Empirical and First Principle Methods Based Descriptors for Acute Toxicity of Diverse Organic Compounds to the Fathead Minnow
Several quantum-mechanics-based descriptors were derived for a diverse set of 48 organic compounds using AM1, PM3, HF/6-31+G, and DFT-B3LYP/6-31+G (d) level of the theory. LC(50) values of acute toxicity of the compounds were correlated to the fathead minnow and predicted using calculated descriptor...
Spremljeno u:
| Glavni autori: | , , , , |
|---|---|
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Molecular Diversity Preservation International (MDPI)
2008
|
| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3871804/ https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms8121265 |
| Oznake: |
Dodaj oznaku
Bez oznaka, Budi prvi tko označuje ovaj zapis!
|