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.

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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.

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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