Pharmacoprint -- a combination of pharmacophore fingerprint and artificial intelligence as a tool for computer-aided drug design

no code implementations • 4 Oct 2021 • Dawid Warszycki, Łukasz Struski, Marek Śmieja, Rafał Kafel, Rafał Kurczab

Structural fingerprints and pharmacophore modeling are methodologies that have been used for at least two decades in various fields of cheminformatics: from similarity searching to machine learning (ML).

Dimensionality Reduction