Final Report Summary - MIXTURE (Synergistic Modelling of Molecular Effects via Chemical and Biological Data Integration)
The MIXTURE project has developed, and validated, novel computational methods for the modelling of drug combination effects, in the infectious disease (antibacterials and malaria) and cancer area. To this end, large combination screening datasets were analysed, and modelled using different types of chemical (fingerprints) and biological (gene expression and network) information and using different machine learning methods, such as deep learning. The methods employed outperformed alternative approaches, and the resulting models were experimentally validated, leading to the discovery of synergistic compound combination against P. falciparum (the causative agent of malaria), and an increased understanding of how to model drug combination effects across biological space.