Giving Molecules an Identity. On the Interplay Between QSARs and Partial Order Ranking
Abstract
:Introduction
Methods
QSAR
Partial Order Ranking
Linear extensions
Results and Discussion
Compound | Average Rank Rkav | Acute Oral Toxicity (mg/kg) | Acute Percutaneous Toxicity (mg/kg) |
---|---|---|---|
Anilofos | 20.5 | 472 | >2000 |
Azinphos methyl | 25.6 | 4 | 220 |
Chlorfenvinphos | 9.6 | 24 | 31 |
Chlorpyriphos methyl | 18.2 | 1630 | >3700 |
Dialifos | 41 | 5 | na |
Dicrotophos | 9.1 | 17 | 110 |
Ditalimfos | 19.3 | 5660 | >2000 |
Monocrotophos | 10.3 | 20 | 112 |
Phosalone | 35.1 | 135 | >1500 |
Phosmet | 21.9 | 160 | na |
Phosphamidon | 6.2 | 17.9 | 374 |
Pyraclofos | 18.9 | 237 | >2000 |
VX | 5.3 | 0.088 | 0.1 |
Conclusions
References and Notes
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Carlsen, L. Giving Molecules an Identity. On the Interplay Between QSARs and Partial Order Ranking. Molecules 2004, 9, 1010-1018. https://doi.org/10.3390/91201010
Carlsen L. Giving Molecules an Identity. On the Interplay Between QSARs and Partial Order Ranking. Molecules. 2004; 9(12):1010-1018. https://doi.org/10.3390/91201010
Chicago/Turabian StyleCarlsen, Lars. 2004. "Giving Molecules an Identity. On the Interplay Between QSARs and Partial Order Ranking" Molecules 9, no. 12: 1010-1018. https://doi.org/10.3390/91201010