by Marina Chenery | Mar 31, 2023 | Drug Discovery Applications, Publications and presentations
Application of the Alchemite deep-learning methodology to categorical modelling of PK endpoints – ACS National Meeting, 2023 Presentation slides on the Application of the Alchemite deep-learning methodology to categorical modelling of PK endpoints.Charlotte...
by Marina Chenery | Mar 28, 2023 | Drug Discovery Applications, Publications and presentations
Reaction Based Enumeration: Lessons learned in designing a workflow that chemists want to use – ACS National Meeting, 2023 Presentation slides on Reaction based enumeration: Lessons learned in designing a workflow that chemists want to use.Tamsin Mansley gave...
by mchenery | Apr 12, 2022 | Drug Discovery Applications, Multi-Parameter Optimisation, Publications and presentations
This article is a collaboration with Intellegens, the University of Cambridge and AstraZeneca. It provides a proof-of-concept study in which Cerella™ is used to predict rat in vivo pharmacokinetic (PK) parameters and concentration–time PK profiles. Authors Olga...
by Marina Chenery | Mar 21, 2022 | Drug Discovery Applications, Publications and presentations
Imputation of sensory properties using deep learning – ACS Spring 22 Presentation slides on the imputation of sensory properties. Dmitriy Chekmarev (IFF) and Samar Mahmoud (Optibrium) gave this talk on 20 March 2022 at the ACS National Meeting and Exposition,...
by mchenery | Nov 8, 2021 | Drug Discovery Applications, General, Publications and presentations
This article outlines an open drug discovery competition, help by the Open Source Malaria consortium. Optibrium entered in collaboration with Intellegens. We developed potential anti-malarials by combining our Cerella™ technology and StarDrop™ drug discovery software....
by Marina Chenery | Apr 29, 2020 | Drug Discovery Applications, Publications and presentations
This article outlines practical applications of deep learning on drug discovery data. It introduces some of the research behind our Cerella technology. Summary When looking to apply artificial intelligence in drug discovery, one of the main challenges is around the...