Transforming Data into Knowledge for Intelligent Decision-making in Early Drug Discovery

This thesis describes various analyses of life science data with the aim of achieving efficiency gains in future experimental campaigns geared toward discovering drugs, and gaining novel insights into compound mode-of-action (i.e., the protein target modulated for the desired phenotypic effect). The increase in publicly available life science data has created opportunities for bioactivity modeling, and the role cheminformatics and bioinformatics play in the latter is discussed in detail.