Automated extraction of chemical synthesis actions from experimental procedures
Nature Communications, 2020. [All Versions]. This paper presents a method to convert unstructured experimental procedures written in English to structured synthetic steps (action sequences) reflecting all the operations needed to successfully conduct the corresponding chemical…
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Inferring experimental procedures from text-based representations of chemical reactions nature.com
Nature Communications, 2021. [All Versions]. This paper presents data-driven models for predicting the entire sequence of synthesis steps starting from a textual representation of a chemical equation, for application in batch organic chemistry.
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Convergence of multiple synthetic paradigms in a universally programmable chemical synthesis machine nature.com
Nature Chemistry, 2020. [All Versions]. [Preprint]. Although the automatic synthesis of molecules has been established, each reaction class uses bespoke hardware. This means that the connection of multi-step syntheses in a single machine to run many different protocols and…
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Reproducibility in automated chemistry laboratories using computer science abstractions nature.com
Nature Synthesis, 2024. [All Versions]. While abstraction is critical for the transferability of automated laboratory science in (bio)chemical and materials sciences, its improper implementation is a technical debt taken against the reproducibility of experimental results. Over…
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A universal system for digitization and automatic execution of the chemical synthesis literature science.org
Science, 2020. [All Versions]. [Preprint]. [XDL Documentation]. [XDL Schema Database]. This paper reports a software platform that uses natural language processing to translate the organic chemistry literature directly into editable code, which in turn can be compiled to drive…
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Universal chemical programming language for robotic synthesis repeatability nature.com
Nature Synthesis, 2024. [All Versions]. [Preprint]. The amount of chemical synthesis literature is growing quickly; however, it takes a long time to share and evaluate new processes among laboratories. This paper presents an approach that uses a universal chemical programming…
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Automation isn't automatic pubs.rsc.org
Chemical Science, 2021. [All Versions]. This perspective provides an overview of the current state of automation of synthetic chemistry at the benchtop scale with a particular emphasis on core considerations and the ensuing challenges of deploying a system. The authors aim to…
AGI & CoCoSci › Papers > Science Logology > Literature Mining: “Nature Communications, 2020. [All Versions]. This paper presents a method to convert unstructured experimental procedures written in English to structured synthetic steps (action sequences) reflecting all the operations needed to successfully conduct the corresponding chemical…”