Definitions

from Wiktionary, Creative Commons Attribution/Share-Alike License.

  • noun any of a class of metallocenes containing an iron atom between two cyclopentadienyl rings; especially the simplest of the class bis-cyclopentadienyl iron

Etymologies

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Examples

  • Both diagrams refer to the same compounds, but the depicted graph representations are not identical. b 2D diagram of ferrocene, which, like all organometallic compounds, is difficult to represent with classical chemoinformatics approaches.

    Archive 2008-01-01

  • Both diagrams refer to the same compounds, but the depicted graph representations are not identical. b 2D diagram of ferrocene, which, like all organometallic compounds, is difficult to represent with classical chemoinformatics approaches.

    My PhD Thesis: in color and grayscale

  • Technorati tags: chemoinformatics Dietz graph theory organometallics ferrocene FlexMol CDK Octet

    Archive 2006-12-01

  • Rich recently blogged about the limitations of the two-atom bond representation often used in chemoinformatics, triggered by the four ferrocene entries in PubChem.

    Modern chemistry in the CDK: beyond the two-atom bond

  • Rich recently blogged about the limitations of the two-atom bond representation often used in chemoinformatics, triggered by the four ferrocene entries in PubChem.

    Archive 2006-12-01

  • Technorati tags: chemoinformatics Dietz graph theory organometallics ferrocene FlexMol CDK Octet

    Modern chemistry in the CDK: beyond the two-atom bond

  • Dropping this 'two-atom bond' representation in favor of something that better describes compounds like ferrocene, like the Dietz and Bauerschmidt approaches, has the unfortunate disadvantage of loosing compatibility with graph theory algorithms.

    Archive 2006-12-01

  • Now, you will note that this approach does not exactly follow Rich's FlexMol examples: the skipped atom pair concepts in the FlexMol version of ferrocene.

    Modern chemistry in the CDK: beyond the two-atom bond

  • Dropping this 'two-atom bond' representation in favor of something that better describes compounds like ferrocene, like the Dietz and Bauerschmidt approaches, has the unfortunate disadvantage of loosing compatibility with graph theory algorithms.

    Modern chemistry in the CDK: beyond the two-atom bond

  • Now, you will note that this approach does not exactly follow Rich's FlexMol examples: the skipped atom pair concepts in the FlexMol version of ferrocene.

    Archive 2006-12-01

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