QUANTUM hERG (q-hERG) screening assays.
QUANTUM hERG (q-hERG) screening assays is a unique and innovative computational approach, which allows you to predict from a molecule structures of compounds their inhibition constants (IC50) for hERG channels.
q-hERG features:
- Output is pIC50 values (-logIC50) for the molecules. The accuracy of prediction is 1.1 pIC50 units;
- No training sets or QSAR methods applied;
- hERG inhibition prediction is made by docking of compound on Quantum Pharmaceuticals’ Proprietary Flexible 3D structure of hERG;
- Docking is based on quantum and molecular physics;
- Average correlation has RMSD=1.18 pIC50 unit, and correlation coefficient = 0.82;
- Easy to use, no special hardware requirements, both Linux/Windows supported;
- You can also request services based on QUANTUM hERG Screening Assays.
Use this form to contact us and request our free q-HERG DEMO. Please fill in your email address letting our representative contact you and provide you with the download link.
Download QUANTUM hERG Screening Assays Brochure
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Post your comments on our q-hERG: QUANTUM's innovative approach to hERG binding calculations blog entry.
