Dagstuhl seminar on early drug design

Tuesday, May 21th, 2013 by hinrich

Schloss Dagstuhl

After having attended a Dagstuhl seminar in 2009 I am happy to be again at this great location - this time as co-organizer of the seminar Computational Methods Aiding Early-Stage Drug Design. We have had already two days of intense discussions and I am grateful for the scientific council of Dagstuhl that they have accepted this seminar even though the content is a bit more distant from the kind of seminars that are typically organized in this well known meeting place for computational scientists.

Even though the list of participant is not huge (we are with 20+), the composition of attendees is very diverse and the discussions have already been very stimulating. Just a few remarks that stuck in my mind:

• The relevance of including & making available datasets to the scientific community that are more reflective of the situation at pharmaceutical companies where roughly 90% of compounds from a screen are inactive for a given primary assay.
• The difficulty of sampling chemical space...
• How to define biological activity and especially novel biological activity?

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