🦠 Model Request: NCATS CYP3A4 Inhibition

[GemmaTuron]

Model Name

Inhibition of CYP3A4

Model Description

Screening library included the NCATS Pharmaceutical Collection, comprising clinically approved low-molecular-weight compounds, and an annotated library consisting of drug-like compounds.

Slug

ncats-cyp3a4-inh

Tag

CYP450, ADME, Metabolism

Publication

https://dmd.aspetjournals.org/content/49/9/822

Source Code

https://github.com/ncats/ncats-adme

License

None

[GemmaTuron]

/approve

[github-actions[bot]]

New Model Repository Created! 🎉

@GemmaTuron ersilia model respository has been successfully created and is available at:

🔗 ersilia-os/eos44zp

Next Steps ⭐

Now that your new model respository has been created, you are ready to start contributing to it!

Here are some brief starter steps for contributing to your new model repository:

Note: Many of the bullet points below will have extra links if this is your first time contributing to a GitHub repository

• 🍴 Get started by creating a fork of your new model repository - docs
• 👯 Clone your forked repository - docs
• ✏️ Make edits to your new forked model repository - docs - Edits might include:
  • Updating the README.md file to accurately describe your model
  • Add source code for your model
  • Adding documentation for your model
• 🚀 Open a Pull Request from your forked repository to the original repository. This will allow you to bring your local changes into the new ersilia model repository that was just created! - docs

Additional Resources 📚

• CONTRIBUTING.md
• About Pull Requests
• About Forks

If you have any questions, please feel free to open an issue and get support from the community!

[GemmaTuron]

We will pull all the CYP450 models in one single model repo

[GemmaTuron]

the model is incorporated