VeGA: A Versatile Generative Architecture for Bioactive Molecules across Multiple Therapeutic Targets.

Pietro Delre

Pietro Delre Antonio Lavecchia VeGA: A Versatile Generative Architecture for Bioactive Molecules across Multiple Therapeutic Targets. 10918-10931 2025 65 J. Chem. Inf. Model. 20 https://doi.org/10.1021/acs.jcim.5c01606 db/journals/jcisd/jcisd65.html#DelreL25 streams/journals/jcisd

Domenico Alberga Giuseppe Lamanna Giovanni Graziano Pietro Delre Maria Cristina Lomuscio Nicola Corriero Alessia Ligresti Dritan Siliqi Michele Saviano Marialessandra Contino Angela Stefanachi Giuseppe Felice Mangiatordi DeLA-DrugSelf: Empowering multi-objective de novo design through SELFIES molecular representation. 108486 2024 175 Comput. Biol. Medicine https://doi.org/10.1016/j.compbiomed.2024.108486 db/journals/cbm/cbm175.html#AlbergaLGDLCLSSCSM24

Pietro Delre Marialessandra Contino Domenico Alberga Michele Saviano Nicola Corriero Giuseppe Felice Mangiatordi ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators. 107314 2023 September 164 Comput. Biol. Medicine https://doi.org/10.1016/j.compbiomed.2023.107314 db/journals/cbm/cbm164.html#DelreCASCM23

Giuseppe Lamanna Pietro Delre Gilles Marcou Michele Saviano Alexandre Varnek Dragos Horvath Giuseppe Felice Mangiatordi GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design. 5107-5119 2023 August 63 J. Chem. Inf. Model. 16 https://doi.org/10.1021/acs.jcim.3c00963 db/journals/jcisd/jcisd63.html#LamannaDMSVHM23

Teresa Maria Creanza Giuseppe Lamanna Pietro Delre Marialessandra Contino Nicola Corriero Michele Saviano Giuseppe Felice Mangiatordi Nicola Ancona DeLA-Drug: A Deep Learning Algorithm for Automated Design of Druglike Analogues. 1411-1424 2022 62 J. Chem. Inf. Model. 6 https://doi.org/10.1021/acs.jcim.2c00205 db/journals/jcisd/jcisd62.html#CreanzaLDCCSMA22

Teresa Maria Creanza Pietro Delre Nicola Ancona Giovanni Lentini Michele Saviano Giuseppe Felice Mangiatordi Structure-Based Prediction of hERG-Related Cardiotoxicity: A Benchmark Study. 4758-4770 2021 61 J. Chem. Inf. Model. 9 https://doi.org/10.1021/acs.jcim.1c00744 db/journals/jcisd/jcisd61.html#CreanzaDALSM21

Domenico Alberga Nicola Ancona Marialessandra Contino Nicola Corriero Teresa Maria Creanza Giovanni Graziano Dragos Horvath Giuseppe Lamanna Antonio Lavecchia Giovanni Lentini Alessia Ligresti Maria Cristina Lomuscio Giuseppe Felice Mangiatordi Gilles Marcou Michele Saviano Dritan Siliqi Angela Stefanachi Alexandre Varnek