Yang C, Tarkhov A, Marusczyk J, et al. “New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling.” J. Chem. Inf. Model.. 2015;55(3):510-528.
Cases M, Briggs K, Steger-Hartmann T, et al. “The eTOX Data-Sharing Project to Advance in Silico Drug-Induced Toxicity Prediction.” International Journal of Molecular Sciences. 2014;15(11):21136-21154.
Vitcheva V, Sharif MA, Tsakovska I, et al. “Description of the MoA/AOP linked with PPARgamma receptor dysregulation leading to liver fibrosis.” Toxicology Letters. 2014;229:S49.
Cherkasov A, Muratov EN, Fourches D, et al. “QSAR Modeling: Where Have You Been? Where Are You Going To?” Journal of Medicinal Chemistry. 2014;57(12):4977-5010.
The presentations shown at the SOT Annual Meeting and ToxExpo 2014 are now available on our website.
Liu M, Bienfait B, Sacher O, et al. “Combining Chemoinformatics with Bioinformatics: In Silico Prediction of Bacterial Flavor-Forming Pathways by a Chemical Systems Biology Approach “Reverse Pathway Engineering”.” PLoS ONE. 2014;9(1):e84769.
Richarz A-N, Enoch S, Hewitt M, et al. “In silico workflows for toxicity prediction implemented into KNIME.” Toxicology Letters. 2013;221:S81.
Yang C, Ambrosio M, Arvidson K, et al. “Development of new COSMOS oRepeatDose and non-cancer Threshold of Toxicological Concern (TTC) databases to support alternative testing methods for cosmetics related chemicals.” Toxicology Letters. 2013;221:S80.
Williams FM, Ambrosio M, Barrett G, et al. “Threshold of toxicological concern (TTC) task force: a strategy to support application of TTC to dermally applied cosmetic ingredients.” Toxicology Letters. 2013;221:S35.
Bienfait B, Ertl P. “JSME: a free molecule editor in JavaScript.” Journal of Cheminformatics. 2013;5(1):24.
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