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AccelerationConsortium / awesome-self-driving-labs

A community-curated list of resources related to self-driving labs which combine hardware automation and artificial intelligence to accelerate scientific discovery.
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Add doi:10.26434/chemrxiv-2023-r7b01 #26

Closed agitter closed 1 year ago

agitter commented 1 year ago

Closes #25

I didn't add the emoji. I ended up using https://zbib.org/ to format the author names in APA style and replacing comma separators with semicolons so I didn't have to do that manually.

sgbaird-alt commented 1 year ago

Great! I'll take a look

Sterling

On Thu, Jun 29, 2023, 9:57 AM Anthony Gitter @.***> wrote:

Closes #25 https://github.com/sgbaird/awesome-self-driving-labs/issues/25

I didn't add the emoji. I ended up using https://zbib.org/ to format the author names in APA style and replacing comma separators with semicolons so I didn't have to do that manually.

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https://github.com/sgbaird/awesome-self-driving-labs/pull/26 Commit Summary

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sgbaird commented 1 year ago

@agitter, thanks for this great share. What a comprehensive and versatile platform!

image

Figure 1. Overview of the developed integrated platform and reactions predicted and successfully realized platform. (A) Illustrations of the key workflow components of the integrated platform and how each component fits into the DMTA cycle, in which the properties tested are wavelength of maximum absorption (λmax), partition coefficient (logP), and rate of photo-oxidative degradation (P. Deg.). (B) Layout of the physical hardware of the experimental platform. (C) Breakdown of the different reaction classes, as classified by ASKCOS, executed by the platform automatically during the exploration case study presented. The four smaller pie charts show the change in the reaction distribution throughout the different steps of the executed reaction pathway. The first reaction executed tends to be a heterocycle formation and the final reaction is often derivatization by forming a C–C (dark blue) C–N, or C–O (both red) bond. Not all selected targets require the same number of reactions in the predicted reaction pathway, leading to the distribution of reaction numbers (a detailed breakdown of reactions is given in the supplementary materials fig. S5)