ADME-Tox Component Collection for the SciTegic Platform

The ADMET Collection provides components that calculate predicted absorption, distribution,metabolism, excretion and toxicity (ADMET) properties for collections of molecules such as synthesis candidates, vendor libraries, and screening collections. Optimizing these properties during discovery efforts is critical for reducing problems in later development. The collection includes models for human intestinal absorption, aqueous solubility, blood brain barrier penetration, plasma protein binding, cytochrome P450 2D6 inhibition, and hepatotoxicity.

With the ADMET components, you can create protocols that:

• Rapidly profile compound collections for ADMET property distributions
• Eliminate compounds with bad ADMET characteristics from further consideration
• Evaluate proposed refinements to compounds, designed to improve their ADMET properties, prior to synthesis
• Include ADMET properties together with experimental and other calculated properties in compound profiling reports