Prompt Content
Design and implement a pipeline that combines a generative AI model for proposing novel molecular structures with predictive models for UV absorption, photostability, and preliminary toxicity. Detail your choice of generative model (e.g., GNN-based, VAE, or fine-tuned Transformer for SMILES) and how it will be trained. Explain how Optuna will be integrated to optimize multiple objective functions (e.g., maximize UV absorption, minimize toxicity, maximize photostability) for the generated molecules. Provide pseudocode or architectural diagrams.
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