CCL: New Accurate hERG Inhibition Prediction Software and Services



 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