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Screening of multi deep learning-based de novo molecular generation models and their application for specific target molecular generation.

Sci Rep · 2025 · PMC11799282 · PMID 39910075

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an increasing trendno p-value reported
4 , exhibited gradually decreasing and converging at approximately 20 epochs, except for GPT-GEGLU, which showed an increasing trend after 20 epochs, indicating overfitting during the training process.

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