PyComp: A Versatile Tool for Efficient Data Extraction, Conversion, and Management in High-throughput Virtual Drug Screening.

Mohsen SisakhtMohammad Keyvanloo ShahrestanakiJafar FallahiVahid Razban

Published in: Current computer-aided drug design (2024)

PyComp effectively addresses some of the most pressing challenges in highthroughput VS: efficient management and conversion of large volumes of compound data. As a user-friendly, customizable software tool, PyComp is pivotal in improving the efficiency and success of large-scale drug screening efforts, paving the way for faster discovery of potential therapeutic compounds.

Keyphrases

high throughput
electronic health record
big data
small molecule
data analysis
adverse drug
single cell
drug induced
quality improvement