Multi-modular integrated AI drug discovery ecosystem

Six AI modules. One drug-discovery decision.

Every candidate scored on six dimensions: binding, selectivity, activity, safety, gene expression, ADMET. Ranked, docked shortlist returned in minutes.

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Six AI modules. One integrated decision layer.

01 / Gnosis layer

Gnosis I, Target Binding

Predicts binding affinity across 9 oncology targets. Every top candidate is auto-docked into the 3D pocket of the relevant protein.

9 targets · auto 3D docking · pocket-resolved

Module detail

02 / Gnosis layer

Gnosis II, Cancer vs Normal Cell Selectivity

Predicts IC50 and activity across cancer and normal cell lines. A cancer-vs-normal selectivity index downranks toxic non-selective compounds automatically.

700+ cancer cell lines · normal-cell selectivity index

Module detail

03 / Gnosis layer

Gnosis III, Clinical Safety

Nine preclinical toxicity endpoints plus six organ-level clinical AE categories. Safety gates suppress favourable predictions when toxicity flags fire. See it run live on doxorubicin.

9 endpoints · multi-organ panel

Module detail

04 / Gnosis layer

Gnosis IV, Downstream Omics

Predicts the differentially expressed genes and Hallmark pathways a compound triggers, per cell line, dose, and timepoint. Drives MoA and resistance strategy.

946 landmark genes · 49 Hallmark pathways · 76 cell-line contexts

Module detail

05 / Gnosis layer

Gnosis V, Drug Behaviour (ADMET)

Twelve ADMET models covering absorption, distribution, metabolism, excretion, and toxicity.

12 models · 5-enzyme CYP panel

Module detail

06 / Gnosis layer

Gnosis Forge, Generation Engine

Every molecule Forge generates is scored in real time by all five Gnosis modules simultaneously. Weak dimensions become correction signals mid-generation. The result: candidates that are not just potent, but carry the right safety profile, metabolic behaviour, and genomic fingerprint from the first round.

50+ candidates per campaign · 142 mechanism categories

Module detail

02 / the problem

90% of drug candidates fail in clinical trials. Most fail because they're evaluated one dimension at a time.

Clinical failure rates remain near 90% and time-to-patient has barely moved in three decades. Not because AI tools are missing, but because candidates are still evaluated one dimension at a time. Fatal flaws surface after hundreds of millions have been spent.

Vecentra evaluates every dimension at once. Fatal flaws surface on day one, not after $300M in spend.

$2.6B

Average cost per approved drug, including failures. (Deloitte, 2023)

~90%

Clinical trial failure rate.

10–12 yr

From target discovery to first patient dose in conventional workflows.

~50%

Of late-stage clinical failures driven by safety, not efficacy.

03 / positioning

Fragmented AI produces fragmented decisions. Vecentra integrates every signal.

Vecentra is not a single algorithm. It is a multi-modular ecosystem: six AI modules covering binding, selectivity, cytotoxicity, safety, gene expression, and ADMET. Each informs the others, all reconciled by a contradiction engine that flags inconsistencies before they reach a researcher. Those same six signals feed directly into Gnosis Forge: a generation engine that refines every candidate in real time against all five scoring dimensions at once, producing novel molecules that are potent, selective, safe, and metabolically sound from the first run.

One input. One platform. A complete picture.

04 / scope

Two indications, one platform.

GNOSIS is built as a disease-agnostic architecture. Oncology is the lead program, with metastasis as the entry wedge. Parkinson's Disease is the second pillar, a market with almost no equivalent integrated AI platforms.

05 / where vecentra fits

The integration gap is where Vecentra sits.

The AI drug discovery field has produced excellent specialists. Each solves one hard problem well. A team that needs the full picture must assemble five separate tools, five separate contracts, and reconcile the outputs manually.

CapabilityVecentraAtomwiseInsilicoRecursionBenevolentAISchrödinger
Target binding✓✓ (needs 3D)✓-✓✓
Cancer-vs-normal cell selectivity✓--partial--
Cancer-cell cytotoxicity✓--partial--
Clinical safety (multi-endpoint)✓-partial-partialpartial
Gene expression (946 genes)✓--partial--
ADMET (12 models)✓-partial--partial
AI molecular generation✓-✓✓-partial
Integrated 3D docking✓partial---✓
Cross-module validation✓-----
Single SMILES input✓-----
No protein structure required✓-✓✓✓-

✓ present in platform · partial = limited scope · - = not a focus of this platform

Vecentra is not competing with Schrödinger on physics-based binding accuracy or with Recursion on imaging scale. Vecentra is the platform that connects every evaluation dimension into one coherent ranking, from a single SMILES input, with selectivity built in, in one workflow.

06 / how partners use it

Three ways partners use the ecosystem today.

Evaluate a known compound

Score one of your in-pipeline leads across all six dimensions: binding, selectivity, cytotoxicity, safety, gene expression, ADMET, plus an automatic 3D dock. Use to triage, optimise, or de-risk before screening spend.

Design from scratch

Give Vecentra a target, disease, or mechanism objective. Forge returns 50+ ranked, scored, docked candidates with built-in selectivity constraints, no parent compound or protein structure required.

Profile a competitor or failed asset

Find out why a clinical-stage compound failed, or assess a published competitor structure before committing to your own program. Often the answer is in the selectivity profile.

07 / on the roadmap

The platform is live today. Three things are coming next.

Real-time interpretability across every prediction and generation. Specialised modules for hard biology beyond oncology. Autonomous discovery agents that close the loop from analysis to candidate without human triggering.

Detail and timelines available under NDA.

08 / frequently asked

Questions we get from partners and investors.

09 / start now

For research and BD partners

Bring Vecentra into the loop before synthesis, screening, or program lock-in. We will run a representative campaign on a compound of your choice within an agreed timeframe.

Discuss a program