Prompt Content
For each generated molecule, integrate computational tools (e.g., RDKit, QSAR models for binding affinity and ADMET). Predict their binding affinities to GLP-1R, GIPR, GCGR, assess Lipinski's Rule of Five compliance, and estimate key ADMET properties. Log all molecules, their predicted properties, and intermediate results into Weights & Biases for experiment tracking.
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