Consultation for Hit-to-lead and fragment-to-lead optimisation Service.
Expertise: The Fragment-Screen team from the Faculty of Pharmacy, University of Lisbon has specific expertise in Hit-to-lead and fragment-to-lead optimisation, ADMET-guided lead optimisation, structure-based drug design, scaffold hopping and scaffold hybridisation, library design and expansion, design of activity- and photoactivity-based probes for chemoproteomics, development synthetic methods, both in batch and flow, generative AI for small molecule design, bioactivity prediction
Keywords: Fragment-based drug design, enzyme inhibitors, chemical probes, machine learning, medicinal chemistry
