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.
In the Press
Latest News
Update: Advancing CNS-penetrant ATR inhibitors with Enki™
Building on their initial hit series, Variational AI and Rakovina Therapeutics share promising new results on ATR inhibitors generated with Enki. The latest findings reveal compounds that balance potency, selectivity,… Read More about Update: Advancing CNS-penetrant ATR inhibitors with Enki™
Variational AI Enters Collaboration with Merck to Apply Generative AI to Drug Discovery
Variational AI, a generative AI drug discovery company, announced a collaboration with Merck, known as MSD outside of the United States and Canada, to apply Variational AI’s Enki™ platform to… Read More about Variational AI Enters Collaboration with Merck to Apply Generative AI to Drug Discovery
Variational AI & Life Chemicals join forces to discover selective dual EGFR/FGFR1 inhibitors using generative AI
Following their successful 2022 collaboration, which targeted the SARS-CoV-2 main protease, Variational AI and Life Chemicals have partnered for a second time to discover de novo generated selective dual EGFR/FGFR1… Read More about Variational AI & Life Chemicals join forces to discover selective dual EGFR/FGFR1 inhibitors using generative AI
Variational AI Joins Agora Open Science Trust to Advance PRMT6 Inhibitors for SBMA
Variational AI is proud to announce its participation in a new open science drug discovery initiative led by Agora Open Science Trust. The project is focused on optimizing the potency… Read More about Variational AI Joins Agora Open Science Trust to Advance PRMT6 Inhibitors for SBMA
Upcoming Events
San DiegoVariational AI at Drug Discovery Chemistry 2026
Variational AI will participate in Drug Discovery Chemistry 2026, a premier conference for scientists focused on the discovery and optimization of small-molecule therapeutics. The event brings together medicinal, biophysical, and computational chemists from pharmaceutical companies,… Learn More about Variational AI at Drug Discovery Chemistry 2026
VancouverVariational AI to speak at ALL IN Talks West
Variational AI will participate in ALL IN Talks West, an event bringing together researchers, industry leaders, builders, and decision-makers focused on the practical deployment of artificial intelligence systems in real-world environments. “From World-Class Research to… Learn More about Variational AI to speak at ALL IN Talks West
TorontoVariational AI to Participate in the Bloom Burton Healthcare Investor Conference
Variational AI will participate in the Bloom Burton & Co. Healthcare Investor Conference (BBHIC), one of North America’s leading gatherings for healthcare investors and emerging life sciences companies. Meet with Variational AI Handol Kim, Co-Founder… Learn More about Variational AI to Participate in the Bloom Burton Healthcare Investor Conference
