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d-cole / Latent_5HT2A_binding_prediction

Models for prediction of 5HT2A binding affinity from SMILES

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ligand-based-modelingpandassklearn
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.

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Models for prediction of 5HT2A binding affinity from SMILES

ligand-based-modelingpandassklearn

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Language:Python 94.3%Language:R 5.7%