Supplementary Materials

A robotic platform for flow synthesis of organic compounds informed by AI planning

Connor W. Coley, Dale A. Thomas III, Justin A. M. Lummiss, Jonathan N. Jaworski, Christopher P. Breen, Victor Schultz, Travis Hart, Joshua S. Fishman, Luke Rogers, Hanyu Gao, Robert W. Hicklin, Pieter P. Plehiers, Joshua Byington, John S. Piotti, William H. Green, A. John Hart, Timothy F. Jamison, Klavs F. Jensen

Materials/Methods, Supplementary Text, Tables, Figures, and/or References

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  • Supplementary Text
  • Figs. S1 to S95
  • Tables S1 to S3
  • Captions for Movies S1 to S3
  • Caption for Recipe Planning File S1
  • Caption for Recipe Planning Script S1
  • Captions for Recipes S1 to S7
  • Captions for Batch Sheets S1 to S15
  • Captions for Website Printouts S1 to S34
  • References
Supplemental Files
Recipe Planning File S1
Recipe Planning Script S1
Recipes S1 to S7
Batch Sheets S1 to S15
Website Printouts S1 to S34

Images, Video, and Other Media

Movie S1
An exemplary sequence of the robotic construction and deconstruction of a synthesis process for the case of lidocaine at 30x speed. Steps of reactor selection, reactor placement, reagent line assembly, process module sealing, process stack compression, process module release, reactor disassembly, and reactor storage are highlighted in less-accelerated insets.
Movie S2
Robotic reconfiguration of process modules. Construction and deconstruction of representative process stacks are shown for nine unique configurations required by aspirin, secnidazole, lidocaine, diazepam, (S)-warfarin, safinamide, ACE inhibitor library molecules requiring longer residence times, ACE inhibitor library molecules requiring shorter residence times, and NSAID library molecules.
Movie S3
Robotic reconfiguration of fluidic connections. Construction and deconstruction of representative connections between reagent ports and the reagent tree are shown for nine unique configurations required by aspirin, secnidazole, lidocaine, diazepam, (S)-warfarin, safinamide, ACE inhibitor library molecules requiring longer residence times, ACE inhibitor library molecules requiring shorter residents times, and NSAID library molecules. Within a compound library, one or two reagents are varied through the use of computer-controlled 24-way selector valves, which are not shown and do not need to be robotically manipulated.