JuliaHealth/PubChemCrawler.jl

Utilities to programmatically query the PubChem database

Language: Julia - Size: 479 KB - Last synced at: 4 days ago - Pushed at: 8 months ago - Stars: 24 - Forks: 4

radi0sus/Alfred_Workflows

A collection of Alfred workflows

Language: Shell - Size: 13.2 MB - Last synced at: 19 days ago - Pushed at: 5 months ago - Stars: 3 - Forks: 0

ParthivRajesh/DrugSimilarityAnalysis_AutoImmunePancreatitis

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.

Size: 190 KB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 2 - Forks: 0

weixin10/Machine-Learning-for-Drug-Discovery

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.

Language: Jupyter Notebook - Size: 1.72 MB - Last synced at: almost 2 years ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 1

ThWIC-AutoQSPR/iterstruc

Language: Python - Size: 319 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

swarsatkn/Extracting-SMILE-Structure-and-IUPAC-Name-of-Drugs-from-PubChem-using-Drug-Names

Extracting SMILE Structure and IUPAC Name of Drugs from PubChem using Drug Names

Language: Jupyter Notebook - Size: 8.79 KB - Last synced at: almost 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0