Generative Molecular Intelligence for De Novo Cancer Therapeutics
Accelerating small molecule drug discovery from 5 years down to 3 weeks using deep neural graph architectures targeting previously "undruggable" oncogenic proteins.
AI Molecule Generator Sandbox
Experience our generative AI neural model in action. Select an oncogenic target mutation, initiate de novo molecular generation, and observe live 3D structure morphing and parameter calculations in real time.
Predicted Molecular Parameters
> System Initialized. AI Model: OncoHelix-GraphNet-v3
> Location: Hoofddorp Neural Compute Node [NL-AMS-01]
> Selected Target: KRAS G12D (Oncogenic Pocket)
> Press "Run De Novo AI Discovery" to simulate generation...
The De Novo AI Engine Architecture
Combining 3D graph convolutional neural networks, quantum binding simulations, and automated ADMET filtering to design non-obvious, highly specific cancer drug candidates.
3D Pocket Discovery
Scans target protein surfaces to identify cryptic binding pockets on previously "undruggable" oncogenic mutants.
Generative Graph Net
Synthesizes novel small molecules atom-by-atom with precise stereochemistry to fit specified protein pockets.
Quantum Energy Scoring
Simulates molecular dynamics & free energy perturbation (FEP) to predict binding affinity with sub-nanomolar accuracy.
In Silico ADMET
Filters out toxic, unstable, or non-synthesizable candidates before entering wet-lab synthesis, cutting costs by 80%.
Our Proprietary Oncology Pipeline
OncoHelix AI is advancing a portfolio of targeted small-molecule therapeutics toward preclinical and clinical trials.
| Compound ID | Oncology Target | Primary Indication | Discovery | Lead Opt. | Preclinical | Phase I Ready |
|---|---|---|---|---|---|---|
| OH-101 Lead Candidate | KRAS G12D | Pancreatic & Colorectal Cancer | ||||
| OH-204 Optimization | TP53 Y220C | Ovarian & Breast Cancer | ||||
| OH-309 Discovery | EGFR L858R | Non-Small Cell Lung Cancer (NSCLC) | ||||
Headquartered in Hoofddorp, Netherlands
Strategically located in the Greater Amsterdam biotech corridor in Hoofddorp, OncoHelix AI operates under strict Netherlands Chamber of Commerce (KvK) regulations and European Medicines Agency (EMA) standards.