Fragnet Search - an alternative approach to chemical similarity

Tuesday 10 December 2019

10.00-10.45 East Coast, 16-16.45 CET - (7 am California, 10 am New York, 15.00 London, 16.00 Zurich, 20.30 New Delhi, 24.00 Tokyo)

Signup here

This virtual meeting will include a perspective by Tim Dudgeon (Informatics Matters) on SafebyDesign methodology and a discussion session facilitated by Barry Hardy (Edelweiss Connect).

Fragnet Search - an alternative approach to chemical similarity

The Fragment Network was described by Astex as a "chemical recommendation engine" and is used in their fragment based drug design programs. This algorithm was re-implemented at Diamond Light Source as part of their fragment screening program, and we at Informatics Matters have been further developing this. We will show an browser based search interface and an API that can be used to fetch molecules related to a query molecule. This is both more effective and more chemically intuitive than traditional fingerprint based similarity techniques, especially for smaller molecules. See: https://fragnet.informaticsmatters.com/

Latest Tweets

Edelweiss Connect (Yesterday)
Taxila™ is a platform that aggregates the tons of data produced every day in natural text & converts it to actionab… https://t.co/iUkjdNUz27
Edelweiss Connect (Yesterday)
Our #saferworldbydesign webinar series began last week with The Safe by Design (SbD) concept for nanomaterials and… https://t.co/GCs7h8Tbvf
Edelweiss Connect (2 weeks ago)
https://t.co/2D6ImSLzpd https://t.co/5VrfUGb5OO
Edelweiss Connect (2 weeks ago)
Safe by Design concept and implementation regarding complex substances - interactive webinar presented by… https://t.co/T89c97EBQL
Edelweiss Connect (4 weeks ago)
Edelweiss Connect and @Biopredic_Intl held their first practical training in integrated approaches to testing and a… https://t.co/V5xFQ5q4a8

Get in touch

  • Address: Edelweiss Connect GmbH
    Technology Park Basel
    Hochbergerstrasse 60C
    CH-4057 Basel / Basel-Stadt
    Switzerland

USA office

  • Address: Edelweiss Connect Inc
    Research Triangle Park NC
    800 Park Offices Dr
    Durham, NC 27709
    USA