11573/1696769 - 2023 -
Understanding Deep RL agent decisions: a novel interpretable approach with trainable prototypes Borzillo, Caterina; Ragno, Alessio; Capobianco, Roberto - 04b Atto di convegno in volume
congresso: XAI.it 2023: Italian Workshop on Explainable Artificial Intelligence 2023 (Rome)
libro: CEUR Workshop Proceedings Vol-3518 - ()
11573/1690926 - 2023 -
Memory Replay For Continual Learning With Spiking Neural Networks Proietti, Michela; Ragno, Alessio; Capobianco, Roberto - 04b Atto di convegno in volume
congresso: 2023 IEEE 33rd International Workshop on Machine Learning for Signal Processing (MLSP) (Rome; Italy)
libro: Proceedings of the 2023 IEEE 33rd International Workshop on Machine Learning for Signal Processing (MLSP) - (979-8-3503-2411-2; 979-8-3503-2412-9)
11573/1691190 - 2023 -
Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening Proietti, Michela; Ragno, Alessio; Rosa, Biagio La; Ragno, Rino; Capobianco, Roberto - 01a Articolo in rivista
rivista: MACHINE LEARNING (Springer Nature
Hingham, MA: Kluwer Academic Publishers) pp. 2013-2044 - issn: 0885-6125 - wos: WOS:001091343300001 (0) - scopus: 2-s2.0-85175337233 (0)
11573/1659035 - 2022 -
Ligand-based and structure-based studies to develop predictive models for {SARS}-{CoV}-2 main protease inhibitors through the 3d-qsar.com portal Proia, Eleonora; Ragno, Alessio; Antonini, Lorenzo; Sabatino, Manuela; Mladenović, Milan; Capobianco, Roberto; Ragno, Rino - 01a Articolo in rivista
rivista: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (-SPRINGER, VAN GODEWIJCKSTRAAT 30, DORDRECHT, NETHERLANDS, 3311 GZ
-Kluwer Academic Publishers:Journals Department, PO Box 322, 3300 AH Dordrecht Netherlands:011 31 78 6576050, EMAIL: frontoffice@wkap.nl, kluweronline@wkap.nl, INTERNET: http://www.kluwerlaw.com, Fax: 011 31 78 6576254) pp. 483-505 - issn: 0920-654X - wos: WOS:000812582700001 (3) - scopus: 2-s2.0-85132189914 (4)
11573/1680634 - 2022 -
Explainable AI in drug design: self-interpretable graph neural network for molecular property prediction using concept whitening Proietti, Michela; Ragno, Alessio; Capobianco, Roberto - 04f Poster
congresso: 3rd Molecules Medicinal Chemistry Symposium: Shaping Medicinal Chemistry for the New Decade (Rome; Italy)
libro: 2022 - ()
11573/1681948 - 2022 -
Py-Graph: An Easy-To-Use Interface for Building Graph-Based QSAR Models Ragno, Alessio; Capobianco, Roberto; Ragno, Rino - 04f Poster
congresso: 23rd European Symposium on Quantitative Structure-Activity Relationship (Heidelberg, Germany)
libro: 2022 - ()
11573/1662081 - 2022 -
Prototype-based Interpretable Graph Neural Networks Ragno, Alessio; La Rosa, Biagio; Capobianco, Roberto - 01a Articolo in rivista
rivista: IEEE TRANSACTIONS ON ARTIFICIAL INTELLIGENCE (Piscataway NJ: IEEE) pp. 1-11 - issn: 2691-4581 - wos: (0) - scopus: 2-s2.0-85142856655 (3)
11573/1583175 - 2021 -
Machine learning data augmentation as a tool to enhance quantitative composition–activity relationships of complex mixtures. A new application to dissect the role of main chemical components in bioactive essential oils Ragno, A.; Baldisserotto, A.; Antonini, L.; Sabatino, M.; Sapienza, F.; Baldini, E.; Buzzi, R.; Vertuani, S.; Manfredini, S. - 01a Articolo in rivista
rivista: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-12 - issn: 1420-3049 - wos: WOS:000714423500001 (3) - scopus: 2-s2.0-85117456880 (3)
11573/1635487 - 2021 -
Semi-Supervised GCN for learning Molecular Structure-Activity Relationships Ragno, Alessio; Savoia, Dylan; Capobianco, Roberto - 04f Poster
congresso: ELLIS Machine Learning for Molecules Workshop (Online)
libro: 2021 - ()
11573/1645783 - 2021 -
Molecule Generation from Input-Attribution over Graph Convolutional Networks Savoia, Dylan; Ragno, Alessio; Capobianco, Roberto - 04f Poster
congresso: ELLIS Machine Learning for Molecules Workshop (Online)
libro: 2021 - ()