Toni Mancini

Prioritising search for virtual screening via preliminary interpretable low-feature likelihood-based rankings of drug-target activity measures.

This article proposes an offline/online method that Wisely selects a small number of easy to compute features of both the amino acid sequence of the proteins and the molecular structure of the ligands, and discretises their domains, which induces a low-dimensional finitisation of proteins' and ligands' chemical spaces.