| ISIDA Property‐Labelled Fragment Descriptors F Ruggiu, G Marcou, A Varnek, D Horvath Molecular informatics 29 (12), 855-868, 2010 | 151 | 2010 |
| Individual Hydrogen‐Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules F Ruggiu, V Solov'ev, G Marcou, D Horvath, J Graton, JY Le Questel, ... Molecular informatics 33 (6‐7), 477-487, 2014 | 35 | 2014 |
| Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids A Proudfoot, AO Frank, F Ruggiu, M Mamo, A Lingel Journal of biomolecular NMR 65, 15-27, 2016 | 31 | 2016 |
| The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) studies propelled by the surge of machine learning methods TA Soares, A Nunes-Alves, A Mazzolari, F Ruggiu, GW Wei, K Merz Journal of Chemical Information and Modeling 62 (22), 5317-5320, 2022 | 28 | 2022 |
| Size matters and how you measure it: a gram-negative antibacterial example exceeding typical molecular weight limits F Ruggiu, S Yang, RL Simmons, A Casarez, AK Jones, C Li, JM Jansen, ... ACS Infectious Diseases 5 (10), 1688-1692, 2019 | 23 | 2019 |
| Quantitative structure–property relationship modeling: a valuable support in high-throughput screening quality control F Ruggiu, P Gizzi, JL Galzi, M Hibert, J Haiech, I Baskin, D Horvath, ... Analytical chemistry 86 (5), 2510-2520, 2014 | 19 | 2014 |
| The QSPR-THESAURUS: The online platform of the CADASTER project S Brandmaier, W Peijnenburg, MK Durjava, B Kolar, P Gramatica, E Papa, ... Alternatives to Laboratory Animals 42 (1), 13-24, 2014 | 14 | 2014 |
| Navigating large chemical spaces in early-phase drug discovery M Korn, C Ehrt, F Ruggiu, M Gastreich, M Rarey Current Opinion in Structural Biology 80, 102578, 2023 | 11 | 2023 |
| Regression modeling on DNA encoded libraries R Ma, GHS Dreiman, F Ruggiu, AJ Riesselman, B Liu, K James, M Sultan, ... NeurIPS 2021 AI for Science Workshop, 2021 | 8 | 2021 |
| ISIDA property-labelled fragment descriptors. Mol Inf 29: 855–868 F Ruggiu, G Marcou, A Varnek, D Horvath | 8 | 2010 |
| A Pooled Cell Painting CRISPR Screening Platform Enables de novo Inference of Gene Function by Self-supervised Deep Learning S Sivanandan, B Leitmann, E Lubeck, MM Sultan, P Stanitsas, N Ranu, ... bioRxiv, 2023.08. 13.553051, 2023 | 7 | 2023 |
| ISIDA Fragmentor2015—User Manual F Ruggiu, G Marcou, V Solov’ev, D Horvath, A Varnek | 2 | 2015 |
| QSPR modelling-a valuable support in HTS quality control F Ruggiu, P Gizzi, JL Galzi, M Hibert, J Haiech, I Baskin, D Horvath, ... Analytical Chemistry, 2014 | 2 | 2014 |
| Early Career Perspectives from Large Pharma, Software, and Start-up Companies F Ruggiu, C Bannan, A Bootsma Journal of Chemical Information and Modeling 62 (11), 2631-2638, 2022 | 1 | 2022 |
| Quality control of chemical libraries JL Galzi, F Ruggiu, P Gizzi, B Didier Medecine Sciences: M/S 31 (6-7), 660-666, 2015 | 1 | 2015 |
| Property-enriched fragment descriptors for adaptive QSAR F Ruggiu Strasbourg, 2014 | 1 | 2014 |
| Machine learning pipeline using dna-encoded library selections R Ma, G Dreiman, F Ruggiu, A Riesselman, B Liu, MM Sultan US Patent App. 17/971,366, 2023 | | 2023 |
| Intramolecular hydrogen bond impact on permeability via matched molecular pair analysis F Ruggiu, J Prescott-Roy, J Jansen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Conformational flexibility in solution: Benchmarking conformer generators against a new ROESY NMR dataset F Ruggiu, M Pillong, J Jansen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Improving drug design by predicting exposed polarity F Ruggiu, B Shirley, J Jansen, H Moser ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
