CEN Webinars: Stronger Bonds
Bridge the Gap Between in silico Drug Design and Real World Synthesis Constraints
Wednesday February 11th 2015
1:00 p.m. EST / 10:00 a.m. PST/ 18:00 GMT
SPEAKER
Speaker
Dr. Brian Masek, PhD,
Product Manager and Lead Scientist
Certara
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MODERATOR
Moderator
Craig Bettenhausen,
Associate Editor,
C&EN
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OVERVIEW

Drug discovery teams face roadblocks in their projects due to gaps between computer aided drug design (CADD) and the medicinal chemistry lab. Thus, CADD scientists identify promising ideas only to find that the medicinal chemists are unable to synthesize them. Muse Invent, from Certara, marries synthetic chemistry with computational drug design for "out of the box" chemistry thinking.

In this webinar, Dr. Brian Masek, Certara Muse Invent Product Manager and Lead Scientist, will describe the challenges Drug Discovery scientists face in their efforts to discover candidates that meet the multiple criteria needed for success. He will present an approach to multi-criteria drug design that integrates CADD and synthetic chemistry. Dr. Masek will then make the case for adopting a new "reaction driven" evolutionary algorithm approach to de novo molecular design, that bridges the gap between synthetic chemistry and computational drug design for novel 'out of the box' chemistry thinking.

KEY LEARNING OBJECTIVES:

- How Muse Invent can accelerate the identification and optimization of lead candidates

- How Muse Invent can create drug candidates with novel structures, scaffolds or side-chains that are not only synthesizable, but describe the necessary synthesis pathway

- How to leverage existing CADD software solutions to build more effective predictive models and generate more new ideas

WHO SHOULD ATTEND
  • • Medicinal Chemists
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  • • Computational Chemists
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  • • Researchers/ R&D Mangagers
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  • • Discovery IT Managers
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  • • Project Leads
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