Literature DB >> 33501193

A Perspective on Innovating the Chemistry Lab Bench.

Alexander G Godfrey1, Samuel G Michael1, Gurusingham Sitta Sittampalam1, Gergely Zahoránszky-Köhalmi1.   

Abstract

Innovating on the design and function of the chemical bench remains a quintessential challenge of the ages. It requires a deep understanding of the important role chemistry plays in scientific discovery as well a first principles approach to addressing the gaps in how work gets done at the bench. This perspective examines how one might explore designing and creating a sustainable new standard for advancing automated chemistry bench itself. We propose how this might be done by leveraging recent advances in laboratory automation whereby integrating the latest synthetic, analytical and information technologies, and AI/ML algorithms within a standardized framework, maximizes the value of the data generated and the broader utility of such systems. Although the context of this perspective focuses on the design of advancing molecule of potential therapeutic value, it would not be a stretch to contemplate how such systems could be applied to other applied disciplines like advanced materials, foodstuffs, or agricultural product development.
Copyright © 2020 Godfrey, Michael, Sittampalam and Zahoránszky-Köhalmi.

Entities:  

Keywords:  automated chemical synthesis; bench chemistry; reaction planning; reagent delivery; retrosynthetic analysis

Year:  2020        PMID: 33501193      PMCID: PMC7805875          DOI: 10.3389/frobt.2020.00024

Source DB:  PubMed          Journal:  Front Robot AI        ISSN: 2296-9144


  27 in total

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Authors:  Alexander Buitrago Santanilla; Erik L Regalado; Tony Pereira; Michael Shevlin; Kevin Bateman; Louis-Charles Campeau; Jonathan Schneeweis; Simon Berritt; Zhi-Cai Shi; Philippe Nantermet; Yong Liu; Roy Helmy; Christopher J Welch; Petr Vachal; Ian W Davies; Tim Cernak; Spencer D Dreher
Journal:  Science       Date:  2014-11-20       Impact factor: 47.728

2.  Modelling Chemical Reasoning to Predict and Invent Reactions.

Authors:  Marwin H S Segler; Mark P Waller
Journal:  Chemistry       Date:  2017-01-04       Impact factor: 5.236

3.  Organic synthesis in a modular robotic system driven by a chemical programming language.

Authors:  Sebastian Steiner; Jakob Wolf; Stefan Glatzel; Anna Andreou; Jarosław M Granda; Graham Keenan; Trevor Hinkley; Gerardo Aragon-Camarasa; Philip J Kitson; Davide Angelone; Leroy Cronin
Journal:  Science       Date:  2018-11-29       Impact factor: 47.728

4.  A remote-controlled adaptive medchem lab: an innovative approach to enable drug discovery in the 21st Century.

Authors:  Alexander G Godfrey; Thierry Masquelin; Horst Hemmerle
Journal:  Drug Discov Today       Date:  2013-03-21       Impact factor: 7.851

5.  On-demand continuous-flow production of pharmaceuticals in a compact, reconfigurable system.

Authors:  Andrea Adamo; Rachel L Beingessner; Mohsen Behnam; Jie Chen; Timothy F Jamison; Klavs F Jensen; Jean-Christophe M Monbaliu; Allan S Myerson; Eve M Revalor; David R Snead; Torsten Stelzer; Nopphon Weeranoppanant; Shin Yee Wong; Ping Zhang
Journal:  Science       Date:  2016-04-01       Impact factor: 47.728

6.  1,500 scientists lift the lid on reproducibility.

Authors:  Monya Baker
Journal:  Nature       Date:  2016-05-26       Impact factor: 49.962

7.  Photoredox Catalysis in Organic Chemistry.

Authors:  Megan H Shaw; Jack Twilton; David W C MacMillan
Journal:  J Org Chem       Date:  2016-08-01       Impact factor: 4.354

Review 8.  Computational prediction of drug solubility in water-based systems: Qualitative and quantitative approaches used in the current drug discovery and development setting.

Authors:  Christel A S Bergström; Per Larsson
Journal:  Int J Pharm       Date:  2018-02-06       Impact factor: 5.875

Review 9.  Computational Chemical Synthesis Analysis and Pathway Design.

Authors:  Fan Feng; Luhua Lai; Jianfeng Pei
Journal:  Front Chem       Date:  2018-06-05       Impact factor: 5.221

10.  Dosage delivery of sensitive reagents enables glove-box-free synthesis.

Authors:  Aaron C Sather; Hong Geun Lee; James R Colombe; Anni Zhang; Stephen L Buchwald
Journal:  Nature       Date:  2015-08-13       Impact factor: 49.962

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  3 in total

1.  Algorithm for the Pruning of Synthesis Graphs.

Authors:  Gergely Zahoránszky-Kőhalmi; Nikita Lysov; Ilia Vorontcov; Jeffrey Wang; Jeyaraman Soundararajan; Dimitrios Metaxotos; Biju Mathew; Rafat Sarosh; Samuel G Michael; Alexander G Godfrey
Journal:  J Chem Inf Model       Date:  2022-04-19       Impact factor: 6.162

2.  Data-Centric Architecture for Self-Driving Laboratories with Autonomous Discovery of New Nanomaterials.

Authors:  Maria A Butakova; Andrey V Chernov; Oleg O Kartashov; Alexander V Soldatov
Journal:  Nanomaterials (Basel)       Date:  2021-12-21       Impact factor: 5.076

Review 3.  From Platform to Knowledge Graph: Evolution of Laboratory Automation.

Authors:  Jiaru Bai; Liwei Cao; Sebastian Mosbach; Jethro Akroyd; Alexei A Lapkin; Markus Kraft
Journal:  JACS Au       Date:  2022-01-10
  3 in total

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