| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 577872 | Journal of Hazardous Materials | 2012 | 9 Pages |
Abstract
⺠We developed QSPR models to predict impact sensitivity of nitroaliphatic compounds. ⺠Two efficient models were rigorously validated according to the OECD principles. ⺠One model is based only on simple constitutional descriptors. ⺠The other model also includes more complex quantum descriptors.
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Authors
Vinca Prana, Guillaume Fayet, Patricia Rotureau, Carlo Adamo,