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. 2022 Jun 13;62(11):2737-2743.
doi: 10.1021/acs.jcim.2c00268. Epub 2022 May 13.

CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community

Andrea Jacobs  1 , Dustin Williams  1 , Katherine Hickey  1 , Nathan Patrick  1 , Antony J Williams  2 , Stuart Chalk  3 , Leah McEwen  4 , Egon Willighagen  5 , Martin Walker  6 , Evan Bolton  7 , Gabriel Sinclair  2 , Adam Sanford  1
Affiliations

CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community

Andrea Jacobs et al. J Chem Inf Model. .

Abstract

CAS Common Chemistry (https://commonchemistry.cas.org/) is an open web resource that provides access to reliable chemical substance information for the scientific community. Having served millions of visitors since its creation in 2009, the resource was extensively updated in 2021 with significant enhancements. The underlying dataset was expanded from 8000 to 500,000 chemical substances and includes additional associated information, such as basic properties and computer-readable chemical structure information. New use cases are supported with enhanced search capabilities and an integrated application programming interface. Reusable licensing of the content is provided through a Creative Commons Attribution-Non-Commercial (CC-BY-NC 4.0) license allowing other public resources to integrate the data into their systems. This paper provides an overview of the enhancements to data and functionality, discusses the benefits of the contribution to the chemistry community, and summarizes recent progress in leveraging this resource to strengthen other information sources.

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Conflict of interest statement

The authors declare no competing financial interest.

Figures

Figure 1
Figure 1
New CAS Common Chemistry homepage.
Figure 2
Figure 2
Detailed record for caffeine in CAS Common Chemistry.
Figure 3
Figure 3
CAS Common Chemistry detail page for cholesterol, with elements as follows: (a) Basic information for the substance that includes chemical name, CAS RN, molecular formula, molecular mass, and structure image. (b) Basic property information that includes boiling point, melting point and density, where available. (c) Other names and identifiers, including InChI, InChIKey, SMILES, canonical SMILES, and synonyms. (d) Deleted or replaced CAS RNs that include any CAS RNs that referred to this substance in the past, but are no longer active. (e) Link to CAS SciFindern that directly links the user to find more information about the substance. (f) Pre-formatted citation that can be copied and pasted directly to cite this webpage. (g) Download button that downloads the molfile format for this chemical structure.
See this image and copyright information in PMC

References

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