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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Dec 29, 2020
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ic50
Here are 15 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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Apr 22, 2024 - Python
Machine learning pipeline using RDKit molecular fingerprints, LightGBM, and SHAP explainability to predict small-molecule IC50 bioactivity.
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Aug 8, 2026 - 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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Oct 21, 2022 - Jupyter Notebook
Open-source Python toolkit for reproducible enzyme kinetics, Michaelis-Menten fitting, and IC50 dose-response analysis.
python biochemistry scientific-computing michaelis-menten dose-response enzyme-kinetics ic50 enzymology
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Jul 28, 2026 - Python
Report an assay-supported IC50 bound when a dose-response series does not bracket its midpoint. Fixed-seed simulations quantifying how far a plateau-constrained fit can move a reported potency.
reproducible-research pharmacology curve-fitting drug-discovery dose-response ic50 assay-development pic50
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Sep 16, 2026 - Python
MATLAB scripts for biochemical assay data analysis: 4PL dose-response fitting, IC50, kinetics, and luminescence readouts. 生化 assay 数据分析 MATLAB 脚本集：4PL 剂量反应拟合、IC50、动力学与发光读数统计
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Oct 6, 2026 - MATLAB
Dose-response curve fitting that extracts IC50, the headline number of every drug-screening experiment.
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Jul 13, 2026 - Python
Dose-response and IC50 analysis app with model comparison and publication-ready plots
bioinformatics r shiny pharmacology biostatistics curve-fitting rshiny bioassay dose-response ec50 ic50 inhibitors enzyme-inhibition
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Apr 24, 2026 - R
Reproducible dose-response analysis for anthelmintic resistance assays
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Sep 24, 2026 - Python
4-parameter logistic curve fitting for dose-response analysis using NumPy and SciPy
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Apr 13, 2026 - Jupyter Notebook
Dose-response analysis and IC50 determination (4PL curve fitting, Z'-factor assay QC) in Python and R.
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Sep 15, 2026 - Python
Dose-response curves in Python.
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Oct 9, 2026 - HTML
This application processes and analyzes data from high throughput luciferase-based virus neutralization assays.
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Jan 28, 2026 - Python
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