Drug Discovery and
Materials Development


Elix, Inc. is an AI drug discovery and materials informatics company with the mission of "Rethinking Drug Discovery and Materials Development".

In addition to talented AI researchers and AI engineers, many of the team members have Ph.D. degrees and come from different specialities such as chemistry, biology and physics. This diverse lineup gives us the capability to always be on the cutting-edge of AI research and development.



Our clients are mainly from pharmaceutical companies, chemical manufacturers and academia.

AI Drug Discovery

We conduct joint research with our partners through Elix's AI drug discovery platform Elix DiscoveryTM for Pharma.
This platform brings cutting-edge technologies together to rapidly improve a range of tasks, mainly from hit-to-lead optimization.
Our main focus is on small molecules, but we can also handle other modalities such as antibodies.

Major Functions

  • Activity prediction / Property prediction,
  • ADMET prediction,
  • Molecular design,
  • Retrosynthesis analysis, etc.

Here are some of our major AI drug discovery partners

  • astellas
  • kyoto univ
  • riken

Materials Informatics

Elix DiscoveryTM for Materials is a state-of-the-art MI platform that allows you to efficiently search for materials with superior properties to help improve your business. We also support you to make the best use of MI even with few data samples.

Major Functions

  • Property prediction,
  • Molecular design,
  • Retrosynthesis analysis,
  • Bayesian optimization, etc.

Here are some of our major materials informatics partners

  • asahikasei
  • imre
  • bridgestone
  • mitsubishi chemical HD
  • nippon shokubai
  • showa denko

Our Partners

We are working together with companies and research institutes in a wide range of industries towards problem solving and value creation.

  • Corporate Partners

    • asahi kasei
    • Astellas Pharma Inc.
    • Bridgestone Corporation
    • CAC Corporation
    • mitsubishi chemical holdings corporation
    • Showa Denko K.K.
    • Honda R&D Co.,Ltd
    • Toppan
  • Research Institutes and Universities

    • Institute of Marerials Research and Engine
    • kyoto univ.
    • riken
    • chiba univ.
  • Selected Programs

    • block buster tokyo
    • nvidea


We are actively hiring research engineers for our business expansion!
You are most welcomed if you have experiences in machine learning or if you have Ph.D in computer science, chemistry, biology, or equivalent practical skills and strong interests in AI drug discovery and materials informatics!

In addition, due to the increasing importance of specialized knowledge and experience in drug discovery and materials development, we would love to have people from the pharmaceutical and chemical industries!