October 21, 2004, 1^st Annual PhysChem Symposium: Early ADME and Medicinal Chemistry

Property Based Design - ACD/MedChem Advisor

Karim Kassam, Eduard Kolvanov

Abstract

Regardless of the in vitro activity of lead compounds, until the availability of larger samples (>~100mg) and animal data, the medicinal chemist has little control over the aspects of his/her molecules that influence exposure at the site of action. This talk explores the physical basis of many of the in vivo barriers between dose and exposure and provides a set of rational working hypotheses that may assist drug discovery projects to bring forward promising candidates more quickly.

Download the presentation in MS PowerPoint (1.47 Mb ZIP file) or Adobe Acrobat format (1.18 Kb PDF file).

Relevant Products: LogP, Solubility, LogD, pK_a, LogD Sol Suite, ChemFolder