Source code and data repository for paper titled "Exploring SureChEMBL from a drug discovery perspective".
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Updated
May 17, 2024 - Jupyter Notebook
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druggability
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This script calculates the PockDrug descriptors of a protein pocket.
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Updated
Jul 10, 2018 - Shell
RnD project Collaboration
genetic-algorithm partitioning-algorithms feature-extraction drug-discovery tf-idf feature-engineering clustering-algorithm sequence-models ensemble-machine-learning cd-hit interpretable-machine-learning word2vec-embeddinngs druggability autoencoder-neural-network nlp-deep-learning majority-voting encoding-algorithms shap-analysis
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Updated
May 25, 2025 - Jupyter Notebook
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