molecular-formula

There are 0 repository under molecular-formula topic.

• Philipbear / msbuddy

  a python package for molecular formula analysis in MS-based small molecule studies

  bioinformaticsmass-spectrometrymetabolomicsmolecular-formulamolecular-formula-assignment
  Language:Python 18

• jonasrenault / pubchem-api-crawler

  Python client for PubChem's API to crawl compounds and their properties using a molecular formula search query.

  chemistrycrawlerpubchemmolecular-formulapython
  Language:Jupyter Notebook 0

• Tarune28 / MF-LOGP

  Python flask application created in coordination with the WPI Dynamics Lab in order to provide interested users with the ability to use a model described in the following paper: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00660-1.

  feature-engineeringflaskmolecular-formulamflogp
  Language:Python 0