Source code and data repository for paper titled "Exploring SureChEMBL from a drug discovery perspective".
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May 17, 2024 - Jupyter Notebook
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druggability
Here are 4 public repositories matching this topic...
This script calculates the PockDrug descriptors of a protein pocket.
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Jul 10, 2018 - Shell
Rank human genes 0-3 (Tdark->Tclin) by druggability on the TCRD Target Development Level scale, from leakage-audited target-independent biological evidence. CV: R2 0.48, macro-F1 0.60, ranking ROC-AUC 0.88.
machine-learning bioinformatics cancer-genomics xgboost drug-discovery tcrd explainable-ai druggability shap target-identification
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Jul 11, 2026 - Python
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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May 25, 2025 - Jupyter Notebook
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