eTox Drug Toxicity Prediction
Predict Toxicity and Synthetic Accessibility from SMILES text or file inputs.
Overview
Quickly predict the toxicity and synthetic accessibility of low molecular weight organic drugs through a Deep Belief Network built on Restricted Boltzmann Machines.
Run eTox Drug Toxicity Prediction on Neurosnap
The eTox Drug Toxicity Prediction online webserver allows anybody with a Neurosnap account to run and access eTox Drug Toxicity Prediction, 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
- Predicts toxicity of low molecular weight organic compounds from 0 to 1 where 0 is low toxicity probability and 1 is high.
- Predicts synthetic accessibility from 1 to 10 where 1 easy to make and 10 is very difficult to synthesize.
- Utilizes a Deep Belief Network built atop multiple Restricted Boltzmann Machine units.
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 eTox Drug Toxicity Prediction 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 eTox Drug Toxicity Prediction in publications or research outputs.
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Michal, B. et al., eToxPred: a machine learning-based approach to estimate the toxicity of drug candidates, https://bmcpharmacoltoxicol.biomedcentral.com/, 08 January 2019, https://bmcpharmacoltoxicol.biomedcentral.com/articles/10.1186/s40360-018-0282-6. |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |