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Drug Discovery.

Infinimol's AI drug discovery platform accelerates your early-stage research journey by harnessing the power of advanced generative AI.
Virtual screening, property-driven lead optimization and advanced semantic search in a single integrated platform.

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Infinimol AI is the all-in-one solution for AI-driven drug discovery

Virtual Screening

Perform virtual screening of billions of compounds against specific targets within hours using the most advanced AI technology.

Optimization & Generation

Optimize your leads or generate new molecules against given targets and property constraints. Find more hit groups, faster.

Advanced Search

Search and compare compounds on a semantic level by using our semantic molecule vector database. Filter by ADMET property ranges.


Stay ahead with our modular pipeline architecture

AI research advances in light speed. Our modular drug discovery pipeline allows fast integration of new technology and problem tailored model selection. Trade off between speed, accuracy and cost at your will.


Number of potential drug-like Compounds


CAGR for AI-First Drug Development


Cost to develop new pharmaceuticals


Annual drug discovery projects needing AI

Where Big Challenges Meet Bold Solutions.

We're on a mission to transform healthcare, making the search for new drugs more efficient and less costly. With your help, we can tackle the biggest challenges and pave the way for future generations. Join us in making a difference.

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Meet our friends and collaborators

Innovation thrives on collaboration. Our friends and collaborators are the cornerstone of our journey, bringing diverse perspectives and expertise to tackle the most pressing challenges in drug discovery.
Join us in a united quest to redefine what's possible in healthcare.

Eisbach Bio – Targeting Synthetic Lethality in Cancer
TUM Venture Lab Software & AI
VERDAS AI. Empowering AI Excellence.
trans MedChem Consulting