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Conformational space profiling enhances generic molecular representation for AI-powered ligand-based drug discovery

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Docetaxel is a phase M period-specific drug that promotes tubule polymerization into stable microtubules and inhibits their polymerization, thus significantly reducing the number of tubules and destroying the microtubule network structure, leading to the formation of stable non-functional microtubules, thus disrupting the mitosis of tumor cells (73)