CCL: New Accurate hERG Inhibition Prediction Software and Services
- From: "Maxim Kholin"
<maxim.kholin-*-q-pharm.com>
- Subject: CCL: New Accurate hERG Inhibition Prediction Software and
Services
- Date: Thu, 13 Dec 2007 11:45:55 -0500
Sent to CCL by: "Maxim Kholin" [maxim.kholin|q-pharm.com]
Dear Colleagues,
We invite you to explore new hERG inhibition prediction software and services,
which allow you to predict from a molecule structures of compounds their
inhibition constants (IC50) for hERG channels.
Features:
- hERG inhibition prediction is made by docking on Quantum Pharmaceuticals
proprietary flexible 3D structure of hERG
- No training sets or QSAR methods applied
- Docking is based on quantum and molecular physics
- Average correlation has RMSD=1.18 pIC50 unit, and correlation coefficient =
0.82
- Output is pIC50 values (-logIC50) for the molecules. The accuracy of
prediction is 1.1 pIC50 units.
- Easy to use, no special hardware requirements, both Linux/Windows supported
- You can also request services based on QUANTUM hERG Screening Assays.
Download QUANTUM hERG Screening Assays Brochure at http://www.leadfinding.com/pdf/herg_presentation.pdf
Go to http://www.leadfinding.com/herg for DEMO right now. Get
promotional price: just $9 k for annual license.
Other Quantum Pharmaceuticals technologies:
Small molecules drug discovery platform
Antibody de novo design: optimization and humanization.
ADME/TOX prediction and modeling
Mechanism of action. Prediction and modeling
More details at www.q-pharm.com
Our contact details:
Quantum Pharmaceuticals
Tel. +7(495) 150 8332
Fax +7(495) 156 156 1
office,+,q-pharm.com
www.q-pharm.com