Published April 29, 2024 | Version ChemFH-1.0.0
Software Open

antwiser/ChemFH: ChemFH: Chemical Frequent Hitter

Authors/Creators

  • 1. National University of Defense Technology

Description

Utilizing high-quality database and Directed Message Passing Neural Network (DMPNN) architectures, ChemFH enhances the efficiency of drug R&D by achieving reliable detection of frequent hitters in colloidal aggregate, firefly luciferase reporter enzyme inhibition, fluorescence, chemical reactivity, and promiscuity.

Files

antwiser/ChemFH-ChemFH-1.0.0.zip

Files (91.9 MB)

Name Size Download all
md5:1103538b484978aa6d8bcb887b15a450
91.9 MB Preview Download

Additional details

Related works

Is supplement to
Software: https://github.com/antwiser/ChemFH/tree/ChemFH-1.0.0 (URL)