Novel ADMET design tool for chemists
2011
New Tool for Molecule Design: ADMET Sketcher™
publication
Author Information
Author(s): D.W. Miller, R. Fraczkiewicz, W.S. Woltosz
Primary Institution: Simulations Plus, Inc.
Conclusion
The ADMET Sketcher™ tool provides chemists with immediate feedback on how structural changes affect key ADMET properties.
Supporting Evidence
- The tool allows chemists to draw any number of molecules and obtain predicted values of key ADMET properties.
- It includes features to modify bond angles and torsional angles of molecule side chains.
- ADMET predictions are updated dynamically as structures are edited.
Takeaway
This new tool helps chemists draw molecules and see how changes to them can affect their properties right away.
Methodology
The tool allows for drawing molecules and predicts ADMET properties using the ADMET Predictor™ software.
Digital Object Identifier (DOI)
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