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, most programs still start from the same limited chemical matter.
Traditional drug discovery begins from known compounds (screening hits, literature scaffolds, familiar chemical matter…) and then commits to long, costly optimization cycles, over-investing in the exploitation of limited starting points.
Variational AI believes in a different approach. Using generative AI, we design novel, synthesizable small molecules optimized across potency, selectivity, ADMET, and synthetic feasibility, giving R&D teams higher-quality leads to initiate their discovery programs.
Better starting points mean fewer costly iterations, faster timelines, and a higher probability of success, so more programs reach the patients who need them.
From target product profile to synthesis-ready leads in weeks
Enki™ generates novel lead-like structures to meet selectivity, potency, toxicity, and pharmacokinetic program 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.
Built for early-stage drug discovery
Enki™ is purpose-built for the earliest stages of small molecule drug discovery — generating first- and best-in-class compounds for 760 pre-trained drug targets spanning kinases, GPCRs, proteases, oxidoreductases, hydrolases, ion channels, and other key target classes.
Generative AI, not screening
Enki™ generates novel molecular structures de novo — moving beyond fixed screening libraries to explore uncharted regions of chemical space.
Multiparameter optimization
Enki™ simultaneously optimizes across 50+ parameters — potency, selectivity, toxicity, ADMET, PK, synthetic accessibility, and more…
The team behind Enki™
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
Variational AI releases Enki 4: Major update to foundation model for small- molecule drug discovery
Variational AI introduces Enki™ 4: an improved algorithm and architecture designed to scale, expanding the pre-trained target coverage from 592 to 760 and now applicable to proximity-based therapeutics and novel… Read More about Variational AI releases Enki 4: Major update to foundation model for small- molecule drug discovery
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
Upcoming Events
CologneVariational AI at BIO-Europe 2026
Variational AI will participate in BIO-Europe 2026, one of the world’s leading partnering conferences for the biotechnology and pharmaceutical industries. The event brings together biotech companies, pharmaceutical firms, investors, and technology innovators from across the global life sciences ecosystem to explore partnerships, licensing opportunities, and new approaches to advancing therapeutic development. Meet the Variational AI
BostonVariational AI at Discovery on Target 2026
Variational AI will participate in Discovery on Target (DOT) 2026, a leading conference dedicated to the latest advances in drug targets and enabling technologies for therapeutic discovery. Held annually in Boston, Discovery on Target brings together scientists from pharma, biotech, and academia to explore emerging approaches for identifying and validating novel drug targets, as well
MontrealVariational AI at CCG’s North American UGM & Conference 2026
Variational AI will be at the CCG North American UGM & Conference in Montreal (June 23–26, 2026). Join Alex Perryman’s scientific presentation on June 25 on how MOE supported multiple drug discovery programs.
Learn More about Variational AI at CCG’s North American UGM & Conference 2026
San DiegoVariational AI at BIO International Convention 2026
Variational AI will be attending BIO International Convention 2026 in San Diego. We’ll be onsite for partnering meetings to connect with pharma and biotech teams interested in accelerating small-molecule programs with generative AI—especially where speed, novelty, and multi-parameter optimization are key. Our delegation will include: Handol Kim, CEO Pete Guzzo, EVP & Head of Drug
Learn More about Variational AI at BIO International Convention 2026
VancouverVariational AI at WebSummit Vancouver 2026
Variational AI is excited to be joining Web Summit Vancouver 2026, one of the world’s premier technology conferences, bringing together over 20,000 attendees, investors, and innovators from across the globe — right here in Vancouver. Handol Kim, Co-Founder and Chief Executive Officer of Variational AI, will participate as a panelist at the event, and Valentin
- Boston
Variational AI to Present at PBSS Event on AI and ML in Drug Discovery
Variational AI will participate in the upcoming Boston Pharmaceutical & Bioscience Society (PBSS) event, “Artificial Intelligence and Machine Learning: Shaping the Future of Therapeutic Drug Discovery, Development, and Manufacturing,” taking place April 28, 2026, in Cambridge, MA. This full-day symposium brings together leaders from biotechnology, academia, and pharmaceutical companies to discuss how artificial intelligence and
Learn More about Variational AI to Present at PBSS Event on AI and ML in Drug Discovery