QEPPI
Screen and evaluate early-stage PPI-targeting compounds with a tailored drug-likeness index.
Overview
QEPPI is a specialized index for early-stage screening of compounds targeting protein-protein interactions (PPIs). It extends the concept of drug-likeness quantification beyond traditional methods like QED, offering a continuous, adjustable metric tailored for PPI-targeting drug discovery. Built from experimental PPI data rather than FDA-approved drugs, QEPPI is ideal for identifying seed compounds that may evolve into PPI inhibitors or stabilizers, supporting both virtual screening and generative modeling applications.
Run QEPPI on Neurosnap
The QEPPI online webserver allows anybody with a Neurosnap account to run and access QEPPI, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- Quantitatively assess drug-likeness specifically for PPI-targeting compounds.
- Designed for early-stage discovery using experimental datasets like iPPI-DB.
- Outperforms traditional indices like QED and RO4 for PPI compounds.
- Provides an adjustable threshold to balance sensitivity and specificity.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access QEPPI using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Citations
Please cite the original work when using QEPPI in publications or research outputs.
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Kosugi, T.; Ohue, M. Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions. Int. J. Mol. Sci. 2021, 22, 10925. https://doi.org/10.3390/ijms222010925 |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |