Generate novel, synthesizable small molecules tailored to your target
Enki™ generates novel, drug-like compounds optimized for your defined Target Product Profile, including potency, selectivity, ADMET, and synthetic feasibility.
What is Enki™?
Enki™ is a proprietary generative AI foundation model purpose-built for small molecule drug discovery. It is trained directly on molecular structures and properties from curated experimental and computational samples from 700+ drug targets.
How it works?
Enki™ is a proprietary platform purpose-built for drug discovery – trained directly on molecular structures and properties from hundreds of millions of curated experimental and computational samples from 700+ drug targets. It produces compounds inherently optimized to meet your defined Target Product Profile.
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.
Why Enki?
Unprecedented novelty
Escape the constraints of legacy screening libraries. Enki™ navigates the uncharted chemical space, discovering structures unlikely to emerge from traditional methods.
Drug-like and synthesizable
Enki™ prioritizes synthetic accessibility and property balance, producing real, actionable candidates—not theoretical curiosities.
Faster hit generation
Deliver 100+ high-quality hits in weeks instead of months—accelerating your early discovery timelines
Minimal data required
Works even when data is sparse, noisy, or non-existent—ideal for novel or difficult targets.
Flexible, human-in-the-loop workflow
Enki™ integrates into your process like a design-on-demand partner—allowing chemists to guide, review, and iterate on outputs.
Scaffold-constrained lead optimization
Enki™ performs hyper-efficient lead optimization while constrained to a defined scaffold—enhancing key properties without altering your core structure.
From early discovery to lead optimization
Enki™ supports R&D teams throughout the early drug discovery process. From identifying novel hits to optimizing leads, Enki™ enables efficient exploration and refinement of small molecules at every key stage prior to preclinical development.
Use Cases
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 inhibitors. Read More
Accelerating the Discovery of Brain-Penetrant ATR Inhibitors with Enki™
Variational AI partnered with Rakovina Therapeutics to support the discovery of a brain-penetrant ATR inhibitor using our Enki™ generative AI platform. By generating and prioritizing novel, CNS-targeting compounds aligned with a complex target product profile,… Read More