QMRF and other publications
KREATiSは科学研究に積極的に参加しています。このセクションでは、KREATiSのメンバーを取り上げた雑誌記事やインタビューをご覧いただけます。
QSAR Model Reporting Format (QMRF) for iSafeRat® (High Accuracy)-QSAR for chronic ecotoxicological endpoints – Version 2.8
QMRF of iSafeRat® (High Accuracy)-QSARs for chronic ecotoxicological
endpoints v2.8 developped by KREATiS and released on 16 June 2025.
QSAR Model Reporting Format (QMRF) for iSafeRat® (High Accuracy)-QSAR for acute ecotoxicological endpoints –Version 2.6
QMRF of iSafeRat® (High Accuracy)-QSARs for acute ecotoxicological endpoints v2.6 developped by KREATiS and released on 16 June 2025.
QSAR Model Reporting Format (QMRF) for iSafeRat® CLASS (Classification Labelling Assessment for Skin Sensitisation) model v1.4
QMRF of iSafeRat® CLASS v1.4 developped by KREATiS and released on 23 April 2025.
(Q)SAR Model Reporting Format (QMRF) for iSafeRat® In Vitro Endocrine Modalities Prediction by SVM for thyroid receptors agonism/antagonism – iVEMPS - THR v1.0
QMRF of iVEMPS - THR v1.0 developped by KREATiS and released on 17 January 2025.
Comment évaluer les interactions contenu/contenant en cosmétique ?
Comment atteindre l'objectif de 100% de plastiques recyclés en 2025 imposés par la loi AGEC ?
Ce CosmedTV apporte les réponses aux exigences des nouvelles règlementations environnementales concernant l'incorporation des matériaux recyclés dans les emballages cosmétiques. Qu'elle soit mécanique, chimique ou enzymatique, les 3 techniques de recyclage sont détaillées. La question de la traçabilité, et des interactions contenu/contenant, permettant l'évaluation de la sécurité, sont également des enjeux important du recyclage. Les travaux du consortium Cosmebooste, dont KREATiS fait parti, sont abordés dans ce contexte.
Enquête : vers la fin de l'expérimentation animale ? (2021)
Carole CHARMEAU interviewée par Eléonore Solé, pour FUTURA planète, Janvier 2021
Development of an Enhanced Mechanistically Driven Mode of Action Classification Scheme for Adverse Effects on Environmental Spec
Maria Sapounidou, David J. Ebbrell, Mark A. Bonnell, Bruno Campos, James W. Firman, Steve Gutsell, Geoff Hodges, Jayne Roberts, and Mark T. D. Cronin*
Best Practices for QSAR Model Development, Validation, and Exploitation.
Tropsha A (2010)
Molecular Informatics 29, 476-488
The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR Mode
Tropsha A, Gramatica P, Gombar VK (2003)
QSAR & Comb. Sci. 22, 69–77
The physicochemical basis of QSARs for baseline toxicity
Mackay D, Arnot JA, Petkova EP, Wallace KB, Call DJ, Brooke LT, Veith GD (2009)
SAR QSAR Environ Res. 20 (3-4), 393-414
Model validation in aquatic toxicity testing: implications for regulatory practice
McCarty LS (2012)
Regul Toxicol Pharmacol. 63 (3), 353-362
Classifying environmental pollutants: Part 3. External validation of the classification system
Verhaar HJM, Solbe J, Speksnijder J, van Leeuwen CJ and Hermens JLM (2000)
Chemosphere 40, 875-883
The use of chemical potentials as indices of toxicity
Ferguson J (1939)
Proc. R. Soc. Lond. B. 127, 387-404
A systematic approach for evaluating the quality of experimental toxicological and ecotoxicological data
Klimisch HJ, Andreae M, Tillmann U (1997)
Regul Toxicol Pharmacol. 25 (1), 1-5
Can highly hydrophobic organic substances cause aquatic baseline toxicity and can they contribute to mixture toxicity?
Mayer P, Reichenberg F (2006)
Environ Toxicol Chem. 25 (10), 2639-2644
Prediction of aqueous solubility of organic compounds by the general solubility equation (GSE)
Ran Y, Jain N, Yalkowsky SH
J Chem Inf Comput Sci. 41 (5), 1208-1217
On the Reliability of Calculated Log P-values: Rekker, Hansch/Leo and Suzuki Approach
Rekker RF, ter Laak AM, Mannhold R (1993)
Quant Struct-Act Relat 12,152-157
How not to develop a quantitative structure-activity or structure-property relationship (QSAR/QSPR)
Dearden JC, Cronin MT, Kaiser KL (2009)
SAR QSAR Environ Res. 20 (3-4), 241-266
The log KOW Controversy
Renner (2002)
Environ. Sci. Technol. 36 (21), 410A-413A