Entropic and Enthalpic Propensities Inherent in SBDD and HTS.
Dr. Christopher Lipinski
Dr. Matthew Soellner
Dr. Barry Bunin
Online Webinar: Wed, Oct 22 from 2-3pm ET
Christopher Lipinski’s decades of experience practicing medicinal chemistry for Pfizer and post-Pfizer have led him to believe that there are inherent biases in the molecules developed via different drug discovery approaches. During this thought-provoking webinar, he will expound on how thermodynamic considerations influence lead optimization and the implications for the scientific community. Barry Bunin (CEO of CDD) and Matthew Soellner (Chemical Biology Professor) will follow with new empirical evidence from the extensive public activity data contained within the free version of CDD Vault. By comparing physical properties with experimentally measured activities across a range of small molecules and protein targets, they will reveal trends in the contributions of enthalpic and entropic terms. They will further demonstrate, using CDD Vault Calculations, how to compensate for these natural biases, with real world implications for affinity and selectivity optimization.
Please Register Here to reserve your place at this live event – it will be a unique opportunity to join the discussion about these fundamental questions of probe and drug discovery.
While most scientists spend their time thinking of the details of their particular project, we’d like to invite you to take a step back and consider the bigger picture: Are there inherent biases in the molecules developed via different drug discovery approaches? By exposing and understanding these biases, can you improve the chance of success of probe and drug development?
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This blog is authored by members of the CDD Vault community. CDD Vault is a hosted drug discovery informatics platform that securely manages both private and external biological and chemical data. It provides core functionality including chemical registration, structure activity relationship, chemical inventory, and electronic lab notebook capabilities!
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