Bertoni, Martino

Continuous Automated Model EvaluatiOn (CAMEO) complementing the critical assessment of structure prediction in CASP12

Haas, J., Barbato, A., Behringer, D., Studer, G., Roth, S., Bertoni, M., Mostaguir, K., Gumienny, R., & Schwede, T. (2018) · Proteins: Structure, Function, and Bioinformatics

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 168

Extending the small-molecule similarity principle to all levels of biology with the Chemical Checker

Duran-Frigola, M., Pauls, E., Guitart-Pla, O., Bertoni, M., Alcalde, V., Amat, D., Juan-Blanco, T., & Aloy, P. (2020) · Nature Biotechnology

Computational Drug Discovery MethodsBioinformatics and Genomic Networks

Cited by 126

Bioactivity descriptors for uncharacterized chemical compounds

Bertoni, M., Duran-Frigola, M., Badia-i-Mompel, P., Pauls, E., Orozco-Ruiz, M., Guitart-Pla, O., Alcalde, V., Diaz, V. M., Berenguer-Llergo, A., Brun-Heath, I., et al. (2021) · Nature Communications

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 92

A community challenge for a pancancer drug mechanism of action inference from perturbational profile data

Douglass, E. F., Allaway, R. J., Szalai, B., Wang, W., Tian, T., Fernández-Torras, A., Realubit, R., Karan, C., Zheng, S., Pessia, A., et al. (2022) · Cell Reports Medicine

Computational Drug Discovery MethodsGene expression and cancer classification

Cited by 68

Integrating and formatting biomedical data as pre-calculated knowledge graph embeddings in the Bioteque

Fernández-Torras, A., Duran-Frigola, M., Bertoni, M., Locatelli, M., & Aloy, P. (2022) · Nature Communications

Bioinformatics and Genomic NetworksBiomedical Text Mining and Ontologies

Cited by 59

Formatting biological big data for modern machine learning in drug discovery

Duran‐Frigola, M., Fernández‐Torras, A., Bertoni, M., & Aloy, P. (2019) · WIREs Computational Molecular Science

Computational Drug Discovery MethodsBioinformatics and Genomic Networks

Cited by 25