11 results for “topic:pubchem-database”
Utilities to programmatically query the PubChem database
moleXa is a web application that makes it easy to explore and visualize molecules in 3D
InertDB, a resource of biologically inactive small molecules
A collection of Alfred workflows
Identifying Drugs similar to prednisone for the treatment of Autoimmune Pancreatitis. Tools such as RDKit, KNIME are used, Datasets are extracted for reference and analysis from PubChem. The goal of this project to explore potential drug alternatives using computational tools like KNIME.
No description provided.
An educational backend proxy server for PubChem API access with enhanced molecular data and features.
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.
Retrieve PubChem data in tabular format
Extracting SMILE Structure and IUPAC Name of Drugs from PubChem using Drug Names
An automated end-to-end bioinformatics ETL pipeline using Python, PubChem API, and SQL to simulate virtual screening of natural substrates vs. synthetic inhibitors.