The discovery of new, drug-like molecules is critical yet costly. NovelMol aims to accelerate early-stage drug discovery using deep generative models and predictive machine learning, with applications in: Cancer and neurodegenerative disease therapeutics.
neural-network cheminformatics neuroscience cancer-research xgboost-algorithm bioinformatics-tool admet mpnn-model novelmolecule target-specific
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Updated
Jul 22, 2025 - Python