eTRANSAFE: data science to empower translational safety assessment

Sanz, F., Pognan, F., Steger-Hartmann, T., Díaz, C., Asakura, S., Amberg, A., Bécourt-Lhote, N., Blomberg, N., Bosc, N., Briggs, K., Bringezu, F., Brulle-Wohlhueter, C., Brunak, S., Bueters, R., Callegaro, G., Capella-Gutierrez, S., Centeno, E., Corvi, J., Cronin, M. T. D., Drew, P., & 39 othersDuchateau-Nguyen, G., Ecker, G. F., Escher, S., Felix, E., Ferreiro, M., Frericks, M., Furlong, L. I., Geiger, R., George, C., Ivanov-Draganov, D., Kilgour-Christie, J., Kiziloren, T., Kors, J. A., Koyama, N., Kreuchwig, A., Leach, A. R., Mayer, M-A., Monecke, P., Muster, W., Nakazawa, C. M., Nicholson, G., Parry, R., Piñero, J., Oberhauser, N., Ramírez-Anguita, J. M., Rodrigo, A., Smajic, A., Schaefer, M., Schieferdecker, S., Soininen, I., Terricabras, E., Trairatphisan, P., Turner, S. C., Valencia, A., van de Water, B., van der Lei, J. L., van Mulligen, E. M., Vock, E. & Wilkinson, D., Aug 2023, In: Nature Reviews. Drug Discovery. 22, 8, p. 605-606 2 p.

Publications: Contribution to journal › Article › Peer Reviewed

Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets

Smajić, A., Rami, I., Sosnin, S. & Ecker, G. F., 21 Aug 2023, In: Chemical Research in Toxicology. 36, 8, p. 1300-1312 13 p.

Publications: Contribution to journal › Article › Peer Reviewed

Using Jupyter Notebooks for re-training machine learning models

Smajic, A., Grandits, M. & Ecker, G. F., 13 Aug 2022, In: Journal of Cheminformatics. 14, 1, 9 p., 54.

Publications: Contribution to journal › Article › Peer Reviewed