Use eTox Drug Toxicity Prediction

Official Neurosnap webserver for accessing eTox Drug Toxicity Prediction online.

Overview

Quickly predict the toxicity and synthetic accessibility of low molecular weight organic drugs through a Deep Belief Network built on Restricted Boltzmann Machines.

Neurosnap Overview

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 service and privacy policy.

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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.

Job Note

Provide a name or description for your job to help you organize and track its results. This input is solely for organizational purposes and does not impact the outcome of the job.

Configuration & Options

Service Inputs

The input small molecules you want to predict the toxicity for. Small peptides are also supported but must contain fewer than 500 atoms in total. All inputs are converted to SMILES format, with SMILES strings being the preferred input for optimal results.

Ready to submit your job?

Once you're done just hit the submit button below and let us do the rest.

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