Fuzzy Pharmacophoric Triplets

    Topological (2D) fuzzy pharmacophore triplets, 2D-FPTs are molecular descriptors. They use the number of interposed bonds as the measure of separation between the atoms representing pharmacophore types (hydrophobic, aromatic, hydrogen-bond donor and acceptor, cation, and anion) to describe compounds.

    • Available on demand (Linux command line version + examples)
    • 2D-FPTs on Mobyle