figshare
Browse

1-MOLMAPs: ACPExtractMarvin

Download all (1.29 MB)
software
posted on 2024-11-14, 10:48 authored by Carrera, Gonçalo V. S. M., Qing-You Zhang, João Aires-de-Sousa

1-MOLMAPs: ACPExtractMarvin - an executable used to extract and organize atomic and component properties of chemical structures. Those properties are initially obtained from Chemaxon cxcalc module. Check Method-ACPExtractMarvin.pdf for a complete information.

Funding

This work was supported by the Associate Laboratory for Green Chemistry - LAQV which is financed by National Funds from FCT/MCTES (UIDB/50006/2020 and UIDP/50006/2020).

History

Usage metrics

    Categories

    Keywords

    MOLMAP descriptorsCodificationCheminformatics

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC