Research
A mix of mind and machine
At MODLAB, our research encompasses algorithm and software development for molecular design, alongside practical applications in chemical biology and medicinal chemistry.
The MODLAB team develops, implements, and experimentally validates innovative concepts in:
- Applied artificial intelligence and machine learning
- Virtual molecular screening
- De novo molecular design
- Macromolecular target profiling and polypharmacology
- Self-organizing adaptive systems.
We create molecular design software and apply these algorithms to virtual compound screening, drug repurposing and de-orphaning, in silico polypharmacology and chemogenomics projects, protein structure analysis and design, and related fields.
