Multi-Criteria Molecular Design: What can we learn from recent successes? Lead Hopping, Scaffold Hopping and R-Group Optimization that balance multiple SAR’s
CEN Webinars: Stronger Bonds

Multi-Criteria Molecular Design: What can we learn from recent successes?
Lead Hopping, Scaffold Hopping and R-Group Optimization that balance multiple SAR's

 

Tuesday, April 30, 2013

USA 11:00 a.m. EDT / 10:00 a.m. CDT / 8:00 a.m. PDT / 16:00 BST

 

Who should attend?


• Discovery scientists responsible for design and generating new chemistry ideas

• Medicinal Chemists

• Drug Designers

• Agricultural Chemists

Speakers


Brian B. Masek, PhD
Lead Scientist and Product Manager
Certara



Dr Lei Wang, PhD
Manager
Applications Science
Certara


Moderator


Emily Bones
Associate Editor
C&EN
 


Overview:


Multiple biological and physical-chemistry parameters contribute to a commercially successful drug or agchem discovery program. These include adequate potency and selectivity, desirable ADME profile and physical properties, and consideration of potential safety and toxicological effects.

Drug and agchem design scientists are faced with the challenge of identifying structures which satisfy and balance these various criteria. We will present a number of examples showing how new ideas have been successfully generated that balance multiple criteria in order to solve real world design challenges.

Topics Covered:


• Examples that demonstrate successful of molecular invention approaches for multi-criteria design

• How easy it can be to use design tools that can suggest new chemistry ideas that balance multiple criteria

• Ligand based multi-criteria design

• Structure based multi-criteria design

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