Angelica Mazzolari

15 papers C 2Journal 13
YearRankTypeTitle / Venue / Authors
2026 J jnl
FAME3R: an efficient, practical and reliable open-source tool for predicting phase 1 and phase 2 sites of metabolism.
J. Cheminformatics
Roxane Axel Jacob, Leo Gaskin, Thomas Seidel, Ya Chen, Angelica Mazzolari, Johannes Kirchmair
2025 J jnl
Automated Annotation of Sites of Metabolism from Biotransformation Data.
J. Chem. Inf. Model.
Roxane Axel Jacob, Angelica Mazzolari, Johannes Kirchmair
2025 C conf
Improving the Efficiency and the Validity of Molecular Transformers.
CIBCB
Leone Bacciu, Matteo Grazioso, Silvia Multari, Francesca Grisoni, Angelica Mazzolari, Marco S. Nobile
2025 J jnl
Prediction of UGT-mediated phase II metabolism via ligand- and structure-based predictive models.
J. Cheminformatics
Ludovica Bono, Filippo Lunghini, Emanuela Sabato, Akash Deep Biswas, Angelica Mazzolari, Alessandro Pedretti, Andrea Rosario Beccari, Giulio Vistoli, Serena Vittorio
2025 J jnl
Site-of-Metabolism Prediction with Aleatoric and Epistemic Uncertainty Quantification.
J. Chem. Inf. Model.
Roxane Axel Jacob, Oliver Wieder, Ya Chen, Angelica Mazzolari, Andreas Bergner, Klaus-Jürgen Schleifer, Johannes Kirchmair
2024 J jnl
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation.
J. Chem. Inf. Model.
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Giulio Vistoli, Thierry Langer, Filip Miljkovic, Johannes Kirchmair
2024 C conf
Predicting Metabolic Reactions with a Molecular Transformer for Drug Design Optimization.
CIBCB
Silvia Multari, Riza Özçelik, Angelica Mazzolari, Marco Salvatore Nobile, Francesca Grisoni
2022 J jnl
The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods.
J. Chem. Inf. Model.
Thereza A. Soares, Ariane Nunes-Alves, Angelica Mazzolari, Fiorella Ruggiu, Guo-Wei Wei, Kenneth M. Merz Jr.
2021 J jnl
The VEGA suite of programs: an versatile platform for cheminformatics and drug design projects.
Bioinform.
Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Laura Fumagalli, Giulio Vistoli
2020 J jnl
Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry.
J. Chem. Inf. Model.
Angelica Mazzolari, Ariane Nunes-Alves, Habibah A. Wahab, Rommie E. Amaro, Zoe Cournia, Kenneth M. Merz Jr.
2020 J jnl
What Makes a Paper Be Highly Cited? 60 Years of the Journal of Chemical Information and Modeling.
J. Chem. Inf. Model.
Ariane Nunes-Alves, Angelica Mazzolari, Kenneth M. Merz Jr.
2019 J jnl
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes.
J. Chem. Inf. Model.
Martin Sícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Giulio Vistoli, Daniel Svozil, Johannes Kirchmair
2018 J jnl
WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening Studies.
J. Chem. Inf. Model.
Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli
2017 J jnl
Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity.
J. Chem. Inf. Model.
Giulio Vistoli, Angelica Mazzolari, Bernard Testa, Alessandro Pedretti
2010 J jnl
Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by
J. Comput. Aided Mol. Des.
Giulio Vistoli, Alessandro Pedretti, Angelica Mazzolari, Bernard Testa