MProPred predicts the efficacy of compounds against the main protease of SARS-CoV-2, which is a promising drug target since it processes polyproteins of SARS-CoV-2. This model uses PaDEL-Descriptor to calculate molecular descriptors of compounds. It is based on a dataset of 758 compounds that have inhibition efficacy against the Main Protease, as published in peer-reviewed journals between January, 2020 and August, 2021. Input compounds are compared to compounds in the dataset to measure molecular similarity with MACCS.
eos3nn9mpro-covid19CompoundSingleRegressionScoreFloatListIf you use this model, please cite the original authors of the model and the Ersilia Model Hub.
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a MIT license.
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