GitHub - EldarMu/Molecular_Fingerprint_NN: An example of a neural network used to predict toxicity with the tox21 dataset. Heavily commented as it is meant to be used as an introduction to cheminformatics and machine learning

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An example of a neural network used to predict toxicity with the tox21 dataset. Heavily commented as it is meant to be used as an introduction to cheminformatics and machine learning

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.idea		.idea
Morgan_Fingerprint_NN.py		Morgan_Fingerprint_NN.py
tox21_test.csv		tox21_test.csv
tox21_train.csv		tox21_train.csv
tox21_valid.csv		tox21_valid.csv

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An example of a neural network used to predict toxicity with the tox21 dataset. Heavily commented as it is meant to be used as an introduction to cheminformatics and machine learning

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