With the public availability of large integrated data sources such as the Open PHACTS Discovery Platform, retrieval of data sets for certain protein targets of interest measured under consistent assay conditions is no longer a time consuming process. Especially the use of workflow engines such as KNIME or Pipeline Pilot allows to submit complex queries and enables to simultaneously search for several targets. Data can then directly be used as input to e.g. ChemBioNavigator or SeeSAR for ligand- and structure-based studies. Within this webinar we will present case studies for the development of ligand-transporter interaction models and their use for selectivity profiling.
