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Drugathon Help

Drugathon Help Overview

This page covers all the topics on the Drugathon: Guides for SeeSAR and infiniSee, compound submission, a recording of the introduction in case you may have missed it, and much more.

Deadline for submissions is the end of the Drugathon: August 3rd 2023 4:00 pm (Berlin Time).

Important pages for the Drugathon

Official page Gathertown Introduction (PDF) Target structure Leaderboard

Schedule

Drugathon Introduction (YouTube)

Drugathon target structure: Nsp10 + Fragments

SeeSAR project file

SeeSAR and infiniSee Guides

We have several helpful 60 seconds videos and beginner guides available for both our major platforms SeeSAR and infiniSee.

SeeSAR

Help Beginner's Guide Download

infiniSee

Help Beginner's Guide Download

Compound Submission

The aim of the Drugathon is to collaboratively design novel drug candidates. If you designed something promising and want to submit your compound for follow up please consider following points:
  • Submitted compounds should be commercially available to ensure fast follow up of the project. Therefore, participants are highly encouraged to search with infiniSee in the make-on-demand Chemical Spaces of our partners: REAL Space, GalaXi, CHEMriya, Freedom Space, and eXplore.
  • Submissions have to be in the sdf format. Export your compound submissions from your SeeSAR sessions with calculated affinity, torsions, and intra- and intermolecular clashes.

Submit your compound!

Submission form

FAQ

To join the event you need to be registered.
Registered participants can join the event via Gathertown.

In case you may have missed the announcement and still want to participate please contact us via mailto:drugathon@biosolveit.de.
Please take note that the number of participants is limited and belated request may not be processed right away.
A link to the extended license is provided in Gathertown during the event.
Yes, it is possible. Yet we encourage to profit from the vast Chemical Spaces of our make-on-demand compound providers (REAL Space, GalaXi, CHEMriya).
After submission we will check the submitted compounds for their binding affinity, molecular torsions and clashes, chemical diversity, commercial availability, unwanted substructures (toxic, PAINS, ...), and other factors to ensure a high-quality set of candidates for purchase and follow up.
We will send out an update to participant whose compound was selected for follow up. Further, we will keep the community update on the progress of the Drugathon on our website and social media.