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gilienv / EssOilDB

Restructuring of Essential Oil Database
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Normalization of uninterpretable compound names #48

Open Shruthi-M opened 5 years ago

Shruthi-M commented 5 years ago

Examples: 1) (11,13)labdadien-8-ol --> was uninterpretable due to the following section of the name: (11,13)labdadien-8-ol The following was not understandable in the context it was used: labd 2) (E)-anethole + bornyl acetate --> was uninterpretable due to the following section of the name: + The following was not understandable in the context it was used: + 3) p-menth--1-ene --> was uninterpretable due to the following section of the name: p-menth--1-ene [The extra "-" should be removed after "menth"] 4) p-menthalpha-1,5-dien-8-ol --> was uninterpretable due to the following section of the name: p-menthalpha-1,5-dien-8-ol 5) p-methoxymethy benzoate --> was uninterpretable due to the following section of the name: methy The following was not understandable in the context it was used: y

petermr commented 5 years ago

These should have two more fields (columns)

  1. Errorcode

  2. Possible fix

    (11,13)labdadien-8-ol --> was uninterpretable due to the following section of the name: (11,13)labdadien-8-ol The following was not understandable in the context it was used: labd ERROR: UNKNOWN_PARENT (i.e. we don't know what labd* is FIX: edit https://webbook.nist.gov/cgi/inchi?ID=R202103

    (E)-anethole + bornyl acetate --> was uninterpretable due to the following section of the name: + The following was not understandable in the context it was used: + ERROR: MIXTURE FIX: WONTFIX

    p-menth--1-ene --> was uninterpretable due to the following section of the name: p-menth--1-ene [The extra "-" should be removed after "menth"] ERROR: TYPO FIX: MANUAL [The extra "-" should be removed after "menth"]

    p-menthalpha-1,5-dien-8-ol --> was uninterpretable due to the following section of the name: p-menthalpha-1,5-dien-8-ol ERROR: UNKNOWN_ELISION FIX: MANUAL edit to p-mentha-1,5-dien-8-ol OR REPLACE p-menthalpha by "p-menth-alpha"

    p-methoxymethy benzoate --> was uninterpretable due to the following section of the name: methy The following was not understandable in the context it was used: y ERROR: TYPO FIX: MANUAL [methy=>methyl]

NOTE: Elisions are common, sometimes non-standard. Some are significant ("benzfoo != "benzofoo") If elisions are common then we should talk to Daniel.