MolGenAI leverages the advanced REINVENT4 technology to create novel drug-like molecular structures, by using a generative AI prior trained on ChEMBL. Equipped with transfer learning and Radial Plot filtering, MolGenAI helps you focus exploration on the regions of chemical space which are of interest. The result is a set of novel molecules fine-tuned to meet your desired chemical and property criteria.
- Accelerate discovery with AI-driven molecule generation
- Focus on relevant chemistry using transfer learning to refine existing priors
- Optimize molecular properties with customizable Radial Plot scoring
- Reuse and adapt pre-trained priors for new projects
- Easily share the most successful priors with your team
- Integrate seamlessly with Flare’s visualization and analysis tools
References and acknowledgements
- Loeffler, H.H., He, J., Tibo, A. et al. Reinvent 4: Modern AI–driven generative molecule design. J Cheminform, 16, 20, 2024