Research
We are a research and development organisation aiming to forge innovation in cheminformatics and AI, turning scientific ideas into robust computational capabilities.
Cheminformatics algorithms
We design molecular representation, similarity, structure handling, and data processing algorithms that make chemical information usable in modern AI workflows.
Deep QSAR models
We build deep learning models for quantitative structure-activity relationships with careful validation, uncertainty awareness, and domain-specific interpretation.
Agentic life science applications
We create agentic systems that can coordinate data retrieval, model execution, literature checks, and scientific workflow automation under human supervision.
Data driven federated learning
We explore privacy-preserving and federated approaches that allow learning across distributed scientific data without unnecessary data exposure.