CEN Webinars: Stronger Bonds
Mastering Medicinal Chemistry:
Reinventing SAR through dynamic visual analytics
in TIBCO Spotfire®
Wednesday November 6th 2013
8:00 a.m. PST / 11:00 a.m. EST / 16:00 BST / 17:00 CEDT
SPEAKERS
Speaker
Dr. Philip Skinner, Ph. D,
Regional Marketing Manager,
Americas, PerkinElmer,
Informatics
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MODERATOR
Moderator
Elizabeth Wilson,
Senior Editor,
C&EN
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OVERVIEW

A core role of the medicinal chemist is to understand the SAR (Structure Activity Relationship) of the molecular classes being studied. Small changes in molecular structure and properties can have diverse effects on biological efficacy and potency, bioavailability and metabolic stability. This webinar will illustrate how the graphical visualizations and dynamic filtering within TIBCO Spotfire® can quickly guide the medicinal chemist to greater intuitive understanding of the patterns within the data.

The newly enhanced Lead Discovery extension will be used to illustrate chemical filtering, clustering, property calculation and R group decomposition. The various options for accessing data will be explored, including direct import from SD File and ChemDraw® for Excel®, along with direct database access to in-house assay databases using the PerkinElmer Datalytix extension.

KEY LEARNING OBJECTIVES

- Medicinal Chemistry
- Structure Activity Relationship (SAR) analysis
- Data mining
- Chemical filtering and clustering
- Property calculation
- R group decomposition

WHO SHOULD ATTEND
  • • Medicinal Chemists
  •  
  • • Synthetic Chemists
  •  
  • • Directors of Discovery
  •  
  • • Computational Chemists
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