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
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, stability, and early CNS exposure—showcasing… Read More
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