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cheminfo/hoses-search-sqlite3

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The goal of this project is to test the capabilities of sqlite3 to be used as a database for substructure search.

Substructure search requires 2 steps:

  1. Search for candidates (using bitwise operation)
  2. Check if a query is really in the target molecule

Example of data can be inspired by:

https://www.cheminfo.org/flavor/xps/XPS_QM9_preview/index.html

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