LigEGFR: Spatial graph embedding and molecular descriptors assisted bioactivity prediction of ligand molecules for epidermal growth factor receptor on a cell line-based dataset
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Updated
Dec 29, 2020
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ic50
Here are 4 public repositories matching this topic...
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
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Updated
Apr 22, 2024 - Python
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.
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Updated
Oct 21, 2022 - Jupyter Notebook
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