GitHub - taraponglab/Skin_Irritation_CT: This project is about the skin irritation prediction using QSAR modeling.

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 19 Commits
Seminar_proposal		Seminar_proposal
__pycache__		__pycache__
dataset		dataset
pubchem		pubchem
sub		sub
222.pdf		222.pdf
Descriptors.xls		Descriptors.xls
HBA_vs_HBD.png		HBA_vs_HBD.png
HBA_vs_HBD_of_hacat.png		HBA_vs_HBD_of_hacat.png
MW_vs_LogP.png		MW_vs_LogP.png
MW_vs_LogP_of_hacat.png		MW_vs_LogP_of_hacat.png
PC1_vs_PC2.png		PC1_vs_PC2.png
PC1_vs_PC2_of_hacat.png		PC1_vs_PC2_of_hacat.png
PC1_vs_PC2pubchem.png		PC1_vs_PC2pubchem.png
PC1_vs_PC2pubchemtest.png		PC1_vs_PC2pubchemtest.png
PC1_vs_PC2substructure.png		PC1_vs_PC2substructure.png
PubchemFingerprinter.xml		PubchemFingerprinter.xml
SubstructureFingerprinter.xml		SubstructureFingerprinter.xml
chemicalspace.ipynb		chemicalspace.ipynb
chemicalspacehacat.ipynb		chemicalspacehacat.ipynb
chemicalspacehacatpubchem.ipynb		chemicalspacehacatpubchem.ipynb
chemicalspacehacatsubstructure.ipynb		chemicalspacehacatsubstructure.ipynb
chemicalspacetest.ipynb		chemicalspacetest.ipynb
curated_datahacatfordrive.csv		curated_datahacatfordrive.csv
custom_preprocess.py		custom_preprocess.py
figerprints.csv		figerprints.csv
figerprintsSubs.csv		figerprintsSubs.csv
figerprintspubchem.csv		figerprintspubchem.csv
figerprintspubchemtest.csv		figerprintspubchemtest.csv
figerprintssubstructuretest.csv		figerprintssubstructuretest.csv
fingerprintsSubs.csv		fingerprintsSubs.csv
flowchart.drawio		flowchart.drawio
list_fingerprints.pdf		list_fingerprints.pdf
project.ipynb		project.ipynb
projectpubchem.ipynb		projectpubchem.ipynb
result test.xlsx		result test.xlsx
smiles.smi		smiles.smi
smilesSubs.smi		smilesSubs.smi
smilespubchem.smi		smilespubchem.smi
smilespubchemtest.smi		smilespubchemtest.smi
smilessubstructuretest.smi		smilessubstructuretest.smi
ผลการทดลอง.docx		ผลการทดลอง.docx
แปรผล SHAP pubchem.xlsx		แปรผล SHAP pubchem.xlsx