3. Calculate Descriptors Filter feature request ... Model build request ... Calculate descriptors request ... responses responses responses QSAR Agent Model Build Filter Features
4. Calculate Descriptors Filter feature request ... Model build request ... Calculate descriptors request ... responses responses responses responses responses responses QSAR Agent Model Build Filter Features Calculate Descriptors
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7. Data repository Model repository Service Repository QSAR Agent Bus Controller User Info Agent Info Agent Compute Agent Compute Agent Meta QSAR Agent
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10. Amazon Bus Server Amazon Worker Servers MS Azure Worker Servers Security Virtual Teams Inkspot Science Sci Software Services Workflow Cloud
13. Data repository Inkspot Service Repository EC2 Azure QSAR Agent Bus Controller Compute Agent Compute Agent Info Agent Info Agent Meta QSAR Agent Multi-Objective Optimisation Agent
16. Colonist Reduced Graph Genetic Algorithm Project RTP Scale Feature Space Solutions Founder population Optimised Leads Optimise Structure Search Get Model Colonist Build QSAR Structure Property Database
17. Data repository Inkspot Service Repository EC2 Azure QSAR Agent Bus Controller Info Agent Info Agent Compute Agent Compute Agent Meta QSAR Agent Meta QSAR Agent MOO Agent Docking Agent HTS Analysis Agent Virtual Screening Agent Compute Agent Compute Agent
18. “ The Discovery Bus is not a tool for users. It is a system for doing drug design independent of any user” The ambition is a step-change in productivity arising from breaking the link between human effort and drug discovery output.
