Using ADMET Predictor® v9.5 to support medicinal chemistry programs User scenarios and examples

Keywords: absorption distribution metabolism and excretion (ADME), ADMET cheminformatics, admet predictor, ADMET properties, chemotypes, medicinal chemistry, scaffold alignments, scaffold-focused libraries
Software: ADMET Predictor®
Division: Simulations Plus

Simulations Plus hosts a webinar to introduce how ADMET Predictor® can be used efficiently to support medicinal chemistry programs in drug discovery.

Topics covered:
· Organize compounds into chemically intuitive classes based on shared scaffolds
· Quickly generate and propagate preferred scaffold alignments.
· Uncover structure activity/property relationships using R group decomposition
· Calculate and analyze ADMET Properties
· Derive class-level predictions in chemotype-level views
· Analyze compound selections
· Select and evaluate property-biased subsets
· Create and evaluate structural analogs of a lead compound

Speakers:
David Miller, Ph.D.
ADMET Cheminformatics Director

Eric Jamois, Ph.D.
Business Development Director

Michael Lawless, Ph.D.
Sr. Principal Scientist