How can categorical models provide value in supporting compound prioritisation?
Introduction In early-stage drug discovery, medicinal chemists rely on predictive models to help guide which compounds to synthesise or test…
Mastering multi-parameter optimisation
Develop advanced MPO strategies and target the right compounds, faster.
We’re diving back into our favourite subject: multi-parameter optimisation.
How can I make the most of my predictive models for drug discovery?
What’s the purpose of a predictive model? What’s the value of predictive models for drug discovery? Most of the undergraduate…
How does generative chemistry work, and how can it help me?
The role of generative chemistry in drug discovery A key difficulty in finding new drugs is the sheer size of…
Cerella case studies ebook
In this ebook we demonstrate our deployable AI discovery platform, Cerella™. Browse real-world stories of success from our collaborations with AstraZeneca, Genetech, Takeda Pharmaceuticals, Constellation Pharmaceuticals and many more.
Imputation of sensory properties using deep learning
In this article, the team demonstrates the application of Alchemite™, a deep learning imputation method which underpins our Cerella™ technology, to physicochemical and sensory data.
Flavour and fragrance models: Leffingwell odour threshold
To be smelt a compound has to have a low enough vapour pressure to be in the gaseous state and…
Flavour and fragrance models: skin absorption modelling
Fragrance materials are widely used in cosmetics and other consumer products. The safety assessment of these ingredients includes skin absorption…
Flavour and fragrance models: Kovats indices
Odour type is an important property for the flavour industry. It has been observed that compounds with a similar volatility…