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https-github.com-mike3119-my-project
https-github.com-mike3119-my-project Publicdata collection and analysis project using ChEMBL and RDKit. Includes dataset cleaning, duplicate removal, Lipinski’s Rule of Five filtering, disruptor analysis, and molecular visualization with Py…
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https-github.com-mike3119-Aromatase
https-github.com-mike3119-Aromatase Public> Statistical analysis of aromatase inhibitors using Python, RDKit, and ChEMBL. Includes Mann–Whitney U Tests on LogP, Molecular Weight, H-bond properties, and pIC50 with visualizations.
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Aromatase-Part-B-Regression-Modeling-with-Molecular-Descriptors
Aromatase-Part-B-Regression-Modeling-with-Molecular-Descriptors PublicThis project applies bioinformatics and chemoinformatics machine learning to Aromatase inhibitors. PubChem fingerprints were calculated with PaDEL-Descriptor, data cleaned, and a Random Forest regr…
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aromatase-ml-regression
aromatase-ml-regression PublicMachine learning regression project analyzing Aromatase inhibitors using multiple predictive models (SVR, XGBoost, Gradient Boosting, Decision Trees, and more). Includes full evaluation of MSR (Mea…
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African-compound-unsupervised-clustering-kmeans-pca
African-compound-unsupervised-clustering-kmeans-pca PublicUnsupervised clustering and PCA analysis of African-origin compounds using KMeans (k=4). The project identifies molecular feature patterns, visualizes clusters in reduced PCA space, and extracts re…
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QSAR-Model-for-Aqueous-Solubility-Prediction-Delaney-Dataset-
QSAR-Model-for-Aqueous-Solubility-Prediction-Delaney-Dataset- PublicThis repository contains a Quantitative Structure-Activity Relationship (QSAR) model developed to predict the aqueous solubility (log S) of small molecules. The model is trained and evaluated using…
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