by Marina Chenery | Oct 14, 2022 | General, In Silico Modelling, Metabolism, Publications and presentations
This paper describes the prediction of the regioselectivity of metabolism by AOs, FMOs and UGTs for humans and CYPs for three preclinical species. The research extends from previous work developing the StarDrop™ P450 module. Visit the P450 webpage to discover how...
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....