Examples
Following examples illustrate a limited number of potential use-cases in drug-discovery projects to allow the users to better understand the versatile features in Makya, and help them to implement them in their own projects. Note that these are only examples meant to guide the user to develop their individual generative AI strategy relevant to their projects. Users are encouraged to modify the parameters in these examples to further explore Makya. If help with a use-case is needed, users can contact us at hello@makya.ai
- Lead Optimization with the fine tuning generator
- Hit-To-Lead using Fragment Growing
- Scaffold Hopping with the Fragment Linking generator
- Growing around a hinge binding central core (kinase inhibitor)
- Generation of novel ideas when you have no data and no target
- Growing around a fragment using a 3D reference molecule
- Growing around a fragment using 3D structure-based design