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machine learning drug discovery artificial intelligence bioinformatics cloud computing bioclipse microservices automation microscopy imaging robotics biomedical data-intensive big data predictive toxicology services phenotypic screening virtualization predictive modeling translational medicine predictions docker interoperability metabolomics decision support decision aid decision making xmpp 2009 bio-it cdk script cell profiling federated learning data privacy non-disclosure confidence prediction intervals conformal prediction privileged information lupi informatics hpc spark kubernetes cloud storage sequencing data sensitive data analysis pipeline agile workflow simulation e-science modeling data management