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Prefix and postfix versions of the SMILE chemical notation

31 July 2024, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The SMILE notation has become an open standard for the specification of the structure of chemical compounds. It is most suitable for computer processing of chemical data. In this work, two variants of this notation are introduced, namely the prefix and postfix versions. They are parenthesis-free notations that are designed to represent trees.

Keywords

SMILE notation
chemical information processing
parenthesis-free notation
line notation

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Version History

Jul 31, 2024 Version 1

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2024-hcpqh
D O I: 10.26434/chemrxiv-2024-hcpqh [opens in a new tab]

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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