Redefining the unit economics of drug discovery for better patient outcomes
With an estimated 10⁶⁰ possible drug-like molecules, the chemical space is unimaginably large. And yet, drug discovery has only scratched its surface.
At Variational AI, we believe that the future of drug discovery lies not in screening molecules but in generating them. Using generative AI, we create novel, synthesizable small molecules optimized across multiple objectives such as potency, selectivity, and safety, without relying on massive screening libraries.
Our platform, Enki™, enables rapid exploration of uncharted chemical space — transforming the cost, speed, and scope of small molecule drug discovery, starting with oncology.
A simple workflow made to fit with your discovery process
From target product profile to synthesis-ready leads in weeks. Enki™ generates and optimizes novel compounds to meet selectivity, potency, toxicity, and pharmacokinetic goals.
1. Define the preclinical target product profile (TPP)
Specify the On/Off-targets and physico-chemical properties of the molecules as input for Enki™ generative AI.
2. Enki™ generates compounds
Enki™ generates novel and diverse structures that meet the defined TPP.
3. Make your selection
Pick compounds you want to synthesize and test. Enki™ can also perform hyper-efficient lead optimization while constrained to a defined scaffold.
Designed for early discovery
Purpose-built for early discovery, Enki™ helps generate first- and best-in-class compounds across multiple therapeutic areas
Generative AI, not screening
We generate new molecules de novo — freeing you from reliance on experimental or virtual libraries.
Multi-objective optimization
Enki™ simultaneously optimizes for more than 50 physico-chemical properties reflecting potency, selectivity, toxicity, PK, synthesizability and ADME.
Transforming drug discovery with AI
At Variational AI, we bring together machine learning researchers, chemists, and biotech professionals united by one mission: transforming early drug discovery with generative AI. Our cross-disciplinary team is always looking for new talents to push the boundaries of science and technology alongside us.
Latest News
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