🦠 Model Request: PK Smart

[GemmaTuron]

Model Name

Pharmacokinetics with PKSmart

Model Description

PKSmart contains a suite of ML models to predict clearance (CL), volume of distribution (VDss), fraction unbound in plasma (fup), mean residence time (MRT) and half-life (thalf) of small molecules in the human body. It has been built using a surrogate modelling approach. Models developed for monkey, rat and dog were trained and then used to predict >1000 molecules with human PK parameters

Slug

pksmart

Tag

ADME

Publication

https://link.springer.com/article/10.1186/s13321-025-01066-5#Sec19

Source Code

https://github.com/Manas02/pksmart-pip

License

No-license

[GemmaTuron]

/approve

[github-actions]

New Model Repository Created! 🎉

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

🔗 ersilia-os/eos2i82

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]

This model is WIP. I am stuck with an error