ic50

Here are 5 public repositories matching this topic...

scads-biochem / LigEGFR

LigEGFR: Spatial graph embedding and molecular descriptors assisted bioactivity prediction of ligand molecules for epidermal growth factor receptor on a cell line-based dataset

deep-neural-networks deep-learning qsar graph-embedding egfr ic50

Updated Dec 29, 2020

ydu-sci / Binding_Curve_Viewer

Star

Visualizing the Equilibrium and Kinetics of Protein-Ligand Binding and Competitive Binding

visualization kinetics ki equilibrium kd high-throughput-screening ic50 protein-ligand-binding binding-curve competitive-binding ligand-binding-assay

Updated Apr 22, 2024
Python

weixin10 / Machine-Learning-for-Drug-Discovery

Star

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.

keras-neural-networks chembl random-forest-regression ic50 pubchem-database