Orthonym-Web/CITATION.cff at main · Steinbeck-Lab/Orthonym-Web · GitHub

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cff-version: 1.2.0
message: >-
  If you use Orthonym-Web, please cite the paper below; the software has its own
  DOI.
title: Orthonym-Web
abstract: >-
  Orthonym-Web is the web application for Orthonym, a deterministic, rule-based
  engine that converts a molecular structure (SMILES) into its IUPAC name. Every
  name it shows is parsed back by OPSIN and compared with the input structure by
  InChIKey, and is labelled with the confidence tier that check earned.
authors:
  - family-names: Rajan
    given-names: Kohulan
    orcid: https://orcid.org/0000-0003-1066-7792
  - family-names: Zielesny
    given-names: Achim
    orcid: https://orcid.org/0000-0003-0722-4229
  - family-names: Steinbeck
    given-names: Christoph
    orcid: https://orcid.org/0000-0001-6966-0814
version: 0.5.0
doi: 10.5281/zenodo.23036568
license: MIT
url: https://orthonym.decimer.ai
repository-code: https://github.com/Steinbeck-Lab/Orthonym-Web
keywords:
  - cheminformatics
  - IUPAC nomenclature
  - chemical naming
  - structure to name
  - SMILES
  - OPSIN
preferred-citation:
  type: article
  status: preprint
  title: 'Orthonym: verified IUPAC names for chemical structures in the wild'
  authors:
    - family-names: Rajan
      given-names: Kohulan
      orcid: https://orcid.org/0000-0003-1066-7792
    - family-names: Zielesny
      given-names: Achim
      orcid: https://orcid.org/0000-0003-0722-4229
    - family-names: Steinbeck
      given-names: Christoph
      orcid: https://orcid.org/0000-0001-6966-0814
  journal: ChemRxiv
  year: 2026
  month: 10
  doi: 10.26434/chemrxiv.15009769/v1
  url: https://doi.org/10.26434/chemrxiv.15009769/v1
references:
  - type: software
    title: Orthonym
    abstract: >-
      Orthonym is a deterministic, rule-based engine that converts a molecular
      structure (SMILES) into its Preferred IUPAC Name, following the IUPAC 2013
      recommendations. In its default tier, every name is validated by an OPSIN
      round-trip before it is returned.
    authors:
      - family-names: Rajan
        given-names: Kohulan
        orcid: https://orcid.org/0000-0003-1066-7792
      - family-names: Zielesny
        given-names: Achim
        orcid: https://orcid.org/0000-0003-0722-4229
      - family-names: Steinbeck
        given-names: Christoph
        orcid: https://orcid.org/0000-0001-6966-0814
    version: 1.0.0
    license: MIT
    url: https://github.com/Steinbeck-Lab/Orthonym
    repository-code: https://github.com/Steinbeck-Lab/Orthonym