The COMP Together champions in your area would like to announce the following event:
Speaker: Max Kuhn, Pfizer
Ignacio Aliagas, Genentech
Title: Two talks on machine learning and applications in drug discovery
Date: 2016-06-28
Time: 6:00 PM
Event ID: 34
Sponsor: Gilead
Location
Gilead
333 Lakeside Drive
Foster City CA 94404
Description and Notes
6-7 pm networking over pizza & drinks
7-7:45pm 1st talk, Max Kuhn, Pfizer
Title: Under the Hood of Cubist
Abstract: Cubist model rules are a relatively unknown machine learning model that has been extensively utilized in QSAR. The model is related to work published by Ross Quinlan in the early 90’s but had remained closed source until 2010. This talk will describe the model and its mechanics and an illustrative example will be shown to demonstrate the result.
7:45-8:15pm 2nd talk, Ignacio Aliagas, Genentech
Title: The Importance of Being Earnest: Assessing Risk in Model Predictions
Abstract: QSAR models for the prediction of properties and DMPK end points can play a very important role to guide synthesis and advance compounds in the drug discovery paradigm. For prediction models to be used efficiently and with ease, integration with other modeling tools and software can facilitate their use. At the same time, it is critical to provide validation tools to quickly inform on the models’ domain of applicability within a given therapeutic project or chemical series. We describe a probabilistic approach to model prediction and how various QSAR models and validation tools are being delivered to drug discovery scientists at Genentech.
8:30pm End
If you would like to attend this COMP Together event, please visit the COMP website and register using the
http://app.acscomp.org/COMP_Together/meeting_signup.php?event_id=34.
If you have any questions about this event, please contact BinQing Wei
atwei.binqing@gmail.com.
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