Predicting ADMET Properties from Molecule SMILE: A Bottom-Up Approach Using Attention-Based Graph Neural Networks
Understanding the pharmacokinetics, safety and efficacy of candidate drugs is crucial for their success. One key aspect is the characterization of absorption, distribution, metabolism, excretion and toxicity (ADMET) properties, which require early assessment in the drug discovery and development pro...
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| Main Authors: | , , , , |
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| Format: | Book |
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MDPI AG,
2024-06-01T00:00:00Z.
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A1234.567 |
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