Predictions of toxicity to Chlorella vulgaris and the use of momentum-space descriptors
Summary: The toxicity to Chlorella vulgaris, expressed as log(1/EC50), of two sets of aromatic compounds has been examined. For the first set, which consists of 13 mono- and di-substituted nitrobenzenes, it was found that one- or two-descriptor models provide useful correlations. A six-descriptor re...
| Permalink: | http://skupni.nsk.hr/Record/nsk.NSK01000733234/Details |
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| Matična publikacija: |
Croatica chemica acta 82 (2009), 1 ; str. 311-316 |
| Glavni autor: | Al-Fahemi, Jabir H. A. (-) |
| Ostali autori: | Cooper, David L. (-), Allan, Neil L. |
| Vrsta građe: | Članak |
| Jezik: | eng |
| Predmet: | |
| Online pristup: |
Croatica Chemica Acta |
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| 008 | 100413s2009 ci ||| ||eng | ||
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| 042 | |a croatica | ||
| 080 | |a 54 |2 MRF 1998. | ||
| 100 | 1 | |a Al-Fahemi, Jabir H. A. | |
| 245 | 1 | 0 | |a Predictions of toxicity to Chlorella vulgaris and the use of momentum-space descriptors / |c Jabir H. A. Al-Fahemi, David L. Cooper and Neil L. Allan. |
| 300 | |b Ilustr. | ||
| 504 | |a Bibliografija: 17 jed | ||
| 504 | |a Sažetak | ||
| 520 | 8 | |a Summary: The toxicity to Chlorella vulgaris, expressed as log(1/EC50), of two sets of aromatic compounds has been examined. For the first set, which consists of 13 mono- and di-substituted nitrobenzenes, it was found that one- or two-descriptor models provide useful correlations. A six-descriptor regression model for the log(1/EC50) values of a larger set that consists of 49 aromatic compounds has also been developed. Overall, it was found that a combination of a small number of trivial ‘feature count’ classical descriptors (numbers of atoms of a particular type) and less traditional quantities (entropy-like momentum-space descriptors) have potential benefits for useful QSAR models | |
| 653 | 0 | |a Chlorella vulgaris |a Toksičnost |a Impuls-prostor deskriptor |a QSAR modeli | |
| 700 | 1 | |a Cooper, David L. | |
| 700 | 1 | |a Allan, Neil L. | |
| 773 | 0 | |t Croatica chemica acta |x 0011-1643 |g 82 (2009), 1 ; str. 311-316 |w nsk.(HR-ZaNSK)000001621 | |
| 981 | |b B01/09 |p CRO | ||
| 998 | |a rado1004 |c vol2o130424 | ||
| 856 | 4 | 2 | |u http://hrcak.srce.hr/cca |y Croatica Chemica Acta |