A practical guide to implementing AI
In this ebook, you’ll discover the key considerations which every leader needs to take in order to successfully implement AI in their drug discovery pipelines.
An augmented approach to generative chemistry
Generative molecular design provides new exciting avenues of chemical space exploration. But how can we use these methods effectively to assess many optimisation strategies and find the compounds destined for success in our projects?
Join Dr Matt Segall and Dr Michael Parker as they explore state-of-the-art generative chemistry, and discuss the importance of an augmented intelligence approach for successful discovery.
Perspectives on generative chemistry – potential and reality
Have advances in AI and deep learning reached a threshold whereby generative chemistry methods are redefining drug design? This webinar…
Experimental validation of predictive models in a series of novel antimalarials
In this study, we identified a new antimalarial with an unusual structure – the only compound in the competition to be proven active, opening up new chemistry for exploration.
Harnessing generative chemistry – how scientists can guide compound idea generation
Why have generative chemistry methods been unable to redefine modern drug discovery and compound idea generation?’ In this session we shed light on a typical shortcoming of generative methods related to prioritising promising over unsuitable directions for exploration.
3D ligand-based drug design: webinar
In this webinar, we demonstrate intuitive workflows for 3D ligand-based drug design
Practical applications of matched series analysis
This paper, co-authored with our colleagues at NextMove Software, explores applications of Matched Series Analysis within StarDrop’s Nova module to…
Advances in multi-parameter optimisation methods for de novo drug design
Summary This review article discusses recent developments in the methods and opinions around multi-parameter optimisation, focusing on applications to de novo drug…
Applying med chem transformations and multi-parameter optimisation
Summary This article on applying med chem transformations and multi-parameter optimisation describes the concepts and algorithms underlying StarDrop’s Nova module. We’ve developed…
