Table 1 Description and examples of the expressing methods of chemical structural information ([5, 8] andhttp://en.wikipedia.org)
From: Chemical named entities recognition: a review on approaches and applications
Expressing method | Description | Example |
|---|---|---|
1. Systematic names | reflect the information of the chemical structure. International Union of Pure and Applied Chemistry (IUPACh) | ‘3-(3,4-dihydroxyphenyl)prop-2-enoic acid’ |
2. Trivial names | they do not reflect the structure of the chemical substance. | ‘caffeic acid’ utilized for ‘3-(3,4-dihydroxyphenyl)prop-2-enoic acid’. |
3. Semi systematic names | at least one part is used in the systematic sense, IUPAC-like, non-IUPAC names. | in‘N-benzoylglycine’ the part ‘benzoyl’ is systematic, whereas ‘glycine’ is the trivialname for ‘_-aminoacetic acid’ |
4. Common or generic names | names applied to a class of compounds | camphor, water and alcohol |
5. Registered trademark/brand names | they identify the brand owner as the commercial source of products. | ‘aspirin’ |
6. Company codes | a company code is to identify the compound within the company. | ZD5077 = ICI204636 = ZM204636 |
7. Acronyms and abbreviations | they are used to get short names. | DMS for dimethyl sulfate |
8. Index and reference | numbers from Chemical Abstracts Service (CAS) registry numbers, Beilstein registry numbers, etc | CAS number of water is 7732-18-5 |
9. Anaphors | Compounds are named earlier in the text but co-referenced to a shorter name, called the anaphor, later in the text. | A compound number is anaphor where … bioactivity is found in compounds [1–7, 9–11] listed in Additional file 1…’ |
10. Sum formula | Consists of the elements contributing to a compound and the number of their occurrences | ‘C9H8O4’ |
11. Chemical structures | explicit and implicit structures | Markush structures, where R1 = CH3, COOH, etc… |