Abstract: In a method of molecular scaffold hopping an interface of a scheduler computer sends instructions, prepared by the scheduler computer, to a job runner computer to perform a plurality of separate computational tasks. Each of the separate computational tasks includes calculating one or more chemical properties for a query molecule or molecules in a library of molecules. One or more of the plurality of separate computational tasks performed on the job runner computer are preemptible computing instances. Status indicators sent from the job runner computer are received by the interface for each of the plurality of separate computational tasks. The indicators are one of: incomplete, completed, or failed computing instances. The interface resends the instructions to the job runner computer that correspond to the separate computational tasks having the failed computing instance indicator to increase fault-tolerance against the separate computational tasks not attaining the completed computing instance indicator.

Abstract: Method and apparatus for molecular scaffold hopping. Sending instructions, from an interface of a scheduler computer to a job runner computer, the instructions prepared by a processor of the scheduler computer, to perform a plurality of separate computational tasks, wherein each of the separate computational tasks includes calculating one or more chemical properties for a query molecule or for molecules in a library of molecules, wherein one or more of the plurality of separate computational tasks performed on the job runner computer are preemptible computing instances. Receiving status indicators, by the interface, the status indicators sent from the job runner computer, for each of the plurality of separate computational tasks, the indicators are one of: incomplete, completed or failed computing instances.

Abstract: Methods and apparatus for tracking antimicrobial resistance based on geography. An application server receives a query from a client application to provide antimicrobial resistance data for a geographic location. The application server determines a geographic region based, at least in part, on the geographic location included in the query, and antimicrobial data for samples collected from patients residing in the geographic region are retrieved from at least one health information datastore of a health information system. The retrieved antimicrobial data comprises information describing antimicrobial resistance of an infectious organism detected in the biological samples to at least one antimicrobial agent, and is transmitted to a client device on which the client application that issued the query is executing.

Abstract: Methods and apparatus for tracking antimicrobial resistance based on geography. An application server receives a query from a client application to provide antimicrobial resistance data for a geographic location. The application server determines a geographic region based, at least in part, on the geographic location included in the query, and antimicrobial data for samples collected from patients residing in the geographic region are retrieved from at least one health information datastore of a health information system. The retrieved antimicrobial data comprises information describing antimicrobial resistance of an infectious organism detected in the biological samples to at least one antimicrobial agent, and is transmitted to a client device on which the client application that issued the query is executing.