cheminfo / cheminfo/wikipedia

Better retrieve SMILES codes from Wikidata instead of Wikipedia

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#22 5 comments 0 reactions 0 assignees View on GitHub

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Dominant language
TypeScript
Stars
61
Forks
18
PR merge metrics
No merged PRs in 30d

Description

Wikidata is a structured database and it's therefore easier to parse Wikipedia infoboxes.

Have a look for example to the list of entities including a SMILES code:
https://www.wikidata.org/wiki/Special:WhatLinksHere/Property:P233

Contributor guide

No contributing guide indexed for this repository

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by inspecting the current SMILES retrieval path and how it parses Wikipedia infoboxes. Review the Wikidata example linked in the issue, including the list for property P233. Done means SMILES codes are retrieved from Wikidata rather than Wikipedia and the chemical structure explorer still displays them correctly.

Written by the indexing model from the issue text.

Assessment

Tech stack
typescript
Domain
data
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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