Quantum-Mechanics and Machine Learning Drug Discovery.

Pharmacelera develops proprietary Computer-Aided Drug Design software and provides access to its technology through flexible licensing options and computational chemistry services. The methodology mines an unexploited chemical space, finding starting points with larger chemical diversity and improving the creativity of chemists.

The technology is based on accurate Quantum-Mechanics algorithms, Machine Learning and High-Performance Computing (HPC) and it derives from more than 25 years of research.

Pharmacelera helps companies in Target Identification, Hit-Identification, Hit-to-Lead and Lead Optimization drug discovery stages by finding novel hits, improving ligand binding properties (ADME, Tox, …), obtaining insights of ligand / receptor interactions and identifying original backup compounds.