Utilities to programmatically query the PubChem database
-
Updated
Aug 30, 2024 - Julia
#
pubchem-database
Here are 5 public repositories matching this topic...
A collection of Alfred workflows
macos alfred alfred-workflow fritzbox smart-home pubchem simpsons devonagent pubchem-database molar-mass
-
Updated
Dec 1, 2024 - Shell
chemistry metabolomics mass-spectrometry lcms metabolomics-database xcalibur pubchem-database exactmass
-
Updated
Jul 11, 2021 - HTML
A Python script predicting pIC50 values of compounds obtained from the ChEMBL database against the target protein, aromatase. The molecular descriptor used in this script is PubChem fingerprint.
-
Updated
Oct 21, 2022 - Jupyter Notebook
Extracting SMILE Structure and IUPAC Name of Drugs from PubChem using Drug Names
-
Updated
Feb 21, 2023 - Jupyter Notebook
Improve this page
Add a description, image, and links to the pubchem-database topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the pubchem-database topic, visit your repo's landing page and select "manage topics."