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chilogd

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Prospero1988 / logD_predictor

Prediction of CHI logD from ¹H/¹³C NMR spectra and molecular fingerprints using ML and deep learning.

machine-learning gui deep-learning cheminformatics fingerprint pytorch neural-networks nmr drug-discovery rdkit logd nmr-spectroscopy qspr nmr-data optuna 1h-nmr cheminformatics-software 13c-nmr chilogd

Updated Jul 28, 2025
Python

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