Collaboration to use AI for drug design and retrosyntheis 

Artificial Intelligence

The Drug Discovery Unit (DDU) in the School of Life Sciences at The University of Dundee is using Iktos’ generative modelling artificial intelligence (AI) technology in one of its drug discovery programmes. 

The collaboration  

Iktos will apply its de novo ligand and structure-based generative modelling technologies, its AI-based retrosynthesis analysis and planning tool to complement DDU’s drug discovery capabilities to identify potential pre-clinical candidates and additional novel chemical matter with suitable properties. 


The DDU translates basic science into lead compounds to validate putative drug targets, to use as tools to investigate disease pathways and, when appropriate, advance to pre-clinical drug candidates for multiple diseases, eg. TB and cancer. 

Official comments 

Yann Gaston-Mathé, President and CEO of Iktos, said: “Pleased to have earned DDU’s trust, we are confident that together with DDU and their established R&D partners, we will be able to identify promising novel chemical matter and solve complex multiparametric optimisation problems. The feedback from DDU’s research team will be highly valuable as we improve our product offerings. Our strategy has always been to tackle challenging problems alongside our collaborators where we can demonstrate value generation for new and on-going drug discovery projects.” 

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