Why Elix Discovery™
01.
Proposing Structures Beyond Human Imagination
Rather than only accelerating what medicinal chemists can already do, we go further by proposing novel structures that they might not conceive. Our technology has demonstrated its value through multiple success stories.
02.
Consulting & Support
Simply introducing AI products often does not ensure that chemists will become proficient in their use—a detail many AI companies overlook. At Elix, we offer comprehensive consulting and support from experienced researchers.
03.
Openness & Sharing Knowledge
Unlike other AI companies, we are not secretive. We share our methods and knowledge transparently. This enables richer discussions and higher success in collaborative research.
Features
Predictive Models
・Predict molecular profiles, including activity, ADMET, and physicochemical properties.
・Support from traditional ML models to cutting-edge DL models.
・Automatically build the best model for chemists.
Generative Models
・Generate molecules with desired properties, such as activity and ADMET.
・Support both ligand-based (LBDD) and structure-based (SBDD) drug design.
・Handle multiple scenarios—de novo generation, lead optimization, linker generation, etc.
Integration of physics-based simulation and AI
・Each can take advantage of complementary strengths, and the combination can help deal with a lack of data.
・Optimize structures by docking simulation with GPU acceleration.
・Docking simulation can be used even in the absence of activity data.
・Predictive models and pharmacophore model integration are also possible.
FAQ
- What kind of data can I use on Elix Discovery™?
- You can upload your own data or public data.
- How secure is Elix Discovery™?
- Elix Discovery™ is recommended for on-premise use on the client’s servers. We also offer cloud-based services.
- I heard that Elix is a global team. Will consulting and support be provided in English?
- Discussions with clients are conducted in Japanese or English, whichever is preferred by the client. Elix Discovery™ itself is available in both English and Japanese.