T. Ando, Y. Fujimoto, and S. Morisaki, Analysis of differential scanning calorimetric data for reactive chemicals, Journal of Hazardous Materials, vol.28, issue.3, pp.251-280, 1991.
DOI : 10.1016/0304-3894(91)87079-H

R. Benigni, C. Bossa, T. Netzeva, and A. Worth, Collection and Evaluation of (Q)SAR Models for Mutagenicity and Carcinogenicity: European Commission, 2007.

T. B. Brill and K. J. James, Kinetics and mechanisms of thermal decomposition of nitroaromatic explosives, Chemical Reviews, vol.93, issue.8, pp.2667-2692, 1993.
DOI : 10.1021/cr00024a005

S. Chervin and G. I. Bodman, Method for estimating decomposition characteristics of energetic chemicals, Process Safety Progress, pp.241-243, 2003.
DOI : 10.1002/prs.680220412

M. T. Cronin and A. P. Worth, (Q)SARs for Predicting Effects Relating to Reproductive Toxicity, QSAR & Combinatorial Science, vol.36, issue.1, pp.91-100, 2008.
DOI : 10.1002/qsar.200710118

. Echa, Pre-registered substances Accessed 20/02, 2012.

G. Fayet, A. Del-rio, P. Rotureau, L. Joubert, and C. Adamo, Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools, Molecular Informatics, vol.27, issue.6-7, pp.623-634, 2011.
DOI : 10.1002/minf.201000077

URL : https://hal.archives-ouvertes.fr/ineris-00963310

G. Fayet, L. Joubert, P. Rotureau, and C. Adamo, On the use of descriptors arising from the conceptual density functional theory for the prediction of chemicals explosibility, Chemical Physics Letters, vol.467, issue.4-6, pp.407-411, 2009.
DOI : 10.1016/j.cplett.2008.11.033

URL : https://hal.archives-ouvertes.fr/ineris-00963161

G. Fayet, L. Joubert, P. Rotureau, and C. Adamo, -Nitrotoluenes, The Journal of Physical Chemistry A, vol.113, issue.48, pp.13621-13627, 2009.
DOI : 10.1021/jp905979w

URL : https://hal.archives-ouvertes.fr/jpa-00210158

G. Fayet, P. Rotureau, L. Joubert, and C. Adamo, On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculations, Journal of Hazardous Materials, vol.171, issue.1-3, pp.845-850, 2009.
DOI : 10.1016/j.jhazmat.2009.06.088

URL : https://hal.archives-ouvertes.fr/ineris-00961948

G. Fayet, P. Rotureau, L. Joubert, and C. Adamo, QSPR modeling of thermal stability of nitroaromatic compounds: DFT vs. AM1 calculated descriptors, Journal of Molecular Modeling, vol.160, issue.4, pp.805-812, 2010.
DOI : 10.1007/s00894-009-0634-7

URL : https://hal.archives-ouvertes.fr/ineris-00963224

G. Fayet, P. Rotureau, L. Joubert, and C. Adamo, Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms, Journal of Molecular Modeling, vol.112, issue.10, pp.2443-2453, 2011.
DOI : 10.1007/s00894-010-0908-0

URL : https://hal.archives-ouvertes.fr/ineris-00961762

P. Gramatica, Principles of QSAR models validation: internal and external, QSAR & Combinatorial Science, vol.15, issue.5, pp.694-701, 2007.
DOI : 10.1002/qsar.200610151

T. Grewer, Thermal Hazards of Chemical Reactions, 1994.

M. Grover, B. Singh, M. Bakshi, and S. Singh, Quantitative structure???property relationships in pharmaceutical research ??? Part 1, Pharmaceutical Science & Technology Today, vol.3, issue.1, pp.28-35, 2000.
DOI : 10.1016/S1461-5347(99)00214-X

M. Grover, B. Singh, M. Bakshi, and S. Singh, Quantitative structure???property relationships in pharmaceutical research ??? Part 2, Pharmaceutical Science & Technology Today, vol.3, issue.2, pp.50-57, 2000.
DOI : 10.1016/S1461-5347(99)00215-1

D. E. Jones and R. A. Augsten, Evaluation of systems for use in DSC measurements on energetic materials, Thermochimica Acta, vol.286, issue.2, pp.355-373, 1996.
DOI : 10.1016/0040-6031(96)02927-9

M. Karelson, V. S. Lobanov, and A. R. Katritzky, Quantum-Chemical Descriptors in QSAR/QSPR Studies, Chemical Reviews, vol.96, issue.3, pp.1027-1044, 1996.
DOI : 10.1021/cr950202r

A. R. Katritzky, M. Kuanar, S. Slavov, C. D. Hall, M. Karelson et al., Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction, Chemical Reviews, vol.110, issue.10, pp.5714-5789, 2010.
DOI : 10.1021/cr900238d

T. I. Netzeva, M. Pavan, and A. P. Worth, Review of (Quantitative) Structure???Activity Relationships for Acute Aquatic Toxicity, QSAR & Combinatorial Science, vol.11, issue.1, pp.77-90, 2008.
DOI : 10.1002/qsar.200710099

T. Öberg and T. Liu, Extension of a prediction model to estimate vapor pressures of perfluorinated compounds (PFCs) Chemometrics and, pp.59-64, 2011.

E. Papa, S. Kovarich, and P. Gramatica, Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers, QSAR & Combinatorial Science, vol.15, issue.8, pp.790-796, 2009.
DOI : 10.1002/qsar.200860183

G. Patlewicz, M. W. Chen, and C. A. Bellin, Non-testing approaches under REACH ??? help or hindrance? Perspectives from a practitioner within industry, SAR and QSAR in Environmental Research, vol.33, issue.1-2, pp.67-88, 2011.
DOI : 10.1021/tx0601004

V. Prana, G. Fayet, P. Rotureau, and C. Adamo, Predictive QSPR models for impact sensitivity of nitroaliphatic compounds, Journal of Hazardous Materials

C. Rücker, G. Rücker, and M. Meringer, y-Randomization and Its Variants in QSPR/QSAR, Journal of Chemical Information and Modeling, vol.47, issue.6, pp.2345-2357, 2007.
DOI : 10.1021/ci700157b

S. R. Saraf, W. J. Rogers, and M. S. Mannan, Prediction of reactive hazards based on molecular structure, Journal of Hazardous Materials, vol.98, issue.1-3, pp.15-29, 2003.
DOI : 10.1016/S0304-3894(02)00314-X

R. Todeschini and V. Consonni, Handbook of Molecular Descriptors, 2000.
DOI : 10.1002/9783527613106

A. Tropsha, Best Practices for QSAR Model Development, Validation, and Exploitation, Molecular Informatics, vol.22, issue.6-7, pp.476-488, 2010.
DOI : 10.1002/minf.201000061

/. Sg and /. Ac, Recommendations on the Transport of Dangerous Goods: Manual of Tests and Criteria. Fifth revised edition, UNUnited Nations), vol.10, issue.11, 2011.

D. A. Winkler, The role of quantitative structure - activity relationships (QSAR) in biomolecular discovery, Briefings in Bioinformatics, vol.3, issue.1, pp.73-86, 2002.
DOI : 10.1093/bib/3.1.73

I. H. Witten and E. Frank, Data mining, ACM SIGMOD Record, vol.31, issue.1, 2005.
DOI : 10.1145/507338.507355

T. Yoshida, Safety of Reactive Chemicals, 1987.