Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals. - Daniela Trisciuzzi; Domenico Alberga; Kamel Mansouri; Richard S. Judson; Ettore Novellino; Giuseppe Felice Mangiatordi; Orazio Nicolotti (J. Chem. Inf. Model., 2017)

A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL). - Domenico Alberga; Daniela Trisciuzzi; Michele Montaruli; Francesco Leonetti 001; Giuseppe Felice Mangiatordi; Orazio Nicolotti (J. Chem. Inf. Model., 2019)

De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization. - Domenico Alberga; Nicola Gambacorta; Daniela Trisciuzzi; Fulvio Ciriaco; Nicola Amoroso; Orazio Nicolotti (J. Chem. Inf. Model., 2020)

Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach. - Fulvio Ciriaco; Nicola Gambacorta; Domenico Alberga; Orazio Nicolotti (J. Chem. Inf. Model., 2021)

ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators. - Pietro Delre; Marialessandra Contino; Domenico Alberga; Michele Saviano; Nicola Corriero; Giuseppe Felice Mangiatordi (Comput. Biol. Medicine, 2023)

DeLA-DrugSelf: Empowering multi-objective de novo design through SELFIES molecular representation. - 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 (Comput. Biol. Medicine, 2024)

Transformer Decoder Learns from a Pretrained Protein Language Model to Generate Ligands with High Affinity. - Teresa Maria Creanza; Domenico Alberga; Cosimo Patruno; Giuseppe Felice Mangiatordi; Nicola Ancona (J. Chem. Inf. Model., 2025)