Springer Nature
Browse
13321_2018_268_MOESM2_ESM.docx (132.59 kB)

MOESM2 of Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening

Download (132.59 kB)
journal contribution
posted on 2018-03-07, 05:00 authored by Rafaela Gladysz, Fabio Dos Santos, Wilfried Langenaeker, Gert Thijs, Koen Augustyns, Hans De Winter
Additional file 2. Experimental procedures for the biochemical assay.

Funding

Conselho Nacional de Desenvolvimento CientĂ­fico e TecnolĂłgico

History

Usage metrics

    Journal of Cheminformatics

    Categories

    Keywords

    SpectrophorePharmacophoreAffinity fingerprintingArtificial cageDescriptorFingerprintCompound similarityQSARTanimotoAcetylcholinesteraseThrombinScaffold hoppingVirtual screening

    Licence

    CC BY + CC0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC