cycle20 / EZCancerTarget

Collect drug compound data based on editable target table and scan various sources to augment dataset
https://cycle20.github.io/EZCancerTarget/
GNU General Public License v3.0
1 stars 1 forks source link

Double check "trometamol" in EMA resultset #58

Closed cycle20 closed 2 years ago

cycle20 commented 2 years ago

trometamol is DCN-related compound according to clue.io EMA search hit refers to https://www.ema.europa.eu/en/documents/overview/biopoin-epar-summary-public_en.pdf

However manual search on EMA site results https://www.ema.europa.eu/en/medicines/human/EPAR/rukobia (fostemsavir) (Manual search link: https://www.ema.europa.eu/en/search/search/field_ema_web_categories%253Aname_field/Human/search_api_aggregation_ema_active_substance_and_inn_common_name/fostemsavir%20trometamol?search_api_views_fulltext=trometamol)


NOTE: wikipedia lists probably most common names: https://en.wikipedia.org/wiki/Tris Preferred IUPAC name: 2-Amino-2-(hydroxymethyl)propane-1,3-diol Other names:

cycle20 commented 2 years ago

webchem package might be useful: https://cran.r-project.org/web/packages/webchem/index.html

and fuzzy searching. e.g. https://cran.r-project.org/web/packages/stringdist/index.html https://cran.r-project.org/web/packages/fuzzywuzzyR/index.html https://cran.r-project.org/web/packages/levitate/index.html

cycle20 commented 2 years ago

Issue #55 will exclude this false positive item. Checking of synonyms would be a good enhancement in a future version.