GitHub - d-cole/Latent_5HT2A_binding_prediction: Models for prediction of 5HT2A binding affinity from SMILES

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Models for prediction of 5HT2A binding affinity from SMILES

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Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
Ki_classifier.py		Ki_classifier.py
README.txt		README.txt
encode_SMILEs.py		encode_SMILEs.py
explore_dataset.R		explore_dataset.R
ki_regression.py		ki_regression.py
pres_plots.py		pres_plots.py
processing_kiDB.py		processing_kiDB.py
smile_to_encoding.py		smile_to_encoding.py

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Latent_5HT2A_binding_prediction

This repository contains .py and .R scripts for the preprocessing and training of models predicting 5HT2A receptor binding affinity from latent representations of SMILES.