<img height="1" width="1" style="display:none;" alt="" src="https://px.ads.linkedin.com/collect/?pid=384506&amp;fmt=gif">
Skip to content
{
Book a Demo
    September 14, 2010

    Recent Papers in Press From CDD and Collaborators including Pfizer on Open Models

    Hot on the heels of our presentations and posters at the ACS meeting in Boston, we now have several papers in press that detail research conducted with collaborators. These cover topics as diverse as large dataset analysis for Tuberculosis and malaria research, ADME/Tox modeling with open source technologies and some thoughts on what may be useful developments for cheminformatics. If you would like to receive pre-prints please contact us here.

    Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis.
    Ekins S, Kaneko T, Lipinski CA, Bradford J, Dole K, Spektor A, Gregory K, Blondeau D, Ernst S, Yang J, Goncharoff N, Hohman MM, Bunin BA.
    Mol Biosyst. 2010 Sep 8. [Epub ahead of print]PMID: 20835433 [PubMed - as supplied by publisher]

    When pharmaceutical companies publish large datasets: an abundance of riches or fool's gold?
    Ekins S, Williams AJ.
    Drug Discov Today. 2010 Aug 21. [Epub ahead of print]PMID: 20732447 [PubMed - as supplied by publisher]

    Using Open Source Computational Tools For Predicting Human Metabolic Stability and Additional ADME/Tox Properties.
    Gupta R, Gifford EM, Liston T, Waller CL, Hohman M, Bunin BA, Ekins S.
    Drug Metab Dispos. 2010 Aug 6. [Epub ahead of print]PMID: 20693417 [PubMed - as supplied by publisher]

    Chemical Space: Missing Pieces in Cheminformatics.
    Ekins S, Gupta RR, Gifford E, Bunin BA, Waller CL.
    Pharm Res. 2010 Aug 4. [Epub ahead of print]PMID: 20683645 [PubMed - as supplied by publisher]

    Tag(s): CDD Blog , News

    Other posts you might be interested in

    View All Posts
    Events
    14 min   March 27, 2025
    Collaborative Drug Discovery's Inaugural Canadian User Group Meeting
    Read More
    CDD Blog
    5 min   March 21, 2025
    Drug Discovery Informatics for Big Pharma: Key Webinar Insights
    Read More
    CDD Vault Updates
    3 min   March 19, 2025
    CDD Vault Update (March #2 2025):  Macromolecule Atomistic Rendering, AI Datasets, Import Inventory Locations, Larger Inventory Boxes, Dark Mode
    Read More