Previous software developments


A flexible modeling framework, supporting of a wide variety of machine learning methods. The source code can be downloaded from our GitHub site, but here you will find it installed in a self-contained VM that we call “envoy”


R implementation of ADAN, an applicability-domain and reliability-index method developed ad-hoc for toxicity-related predictive models


A revolutionary tool for generating and handling Grid INdependent Descriptors


A fragment-based scaffold hopping tool able to generate synthetically accessible derivatives starting from a template ligand or a ligand-receptor complex