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README.md
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## ⚙️ Generated Molecules Evaluation
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**Overall Stats:**
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```
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**PCA of MACCS:**
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## ❤️ Support the Project
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```
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## ⚙️ Generated Molecules Evaluation
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### On 1K generated examples:
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**Overall Stats:**
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📊 FINAL EVALUATION SUMMARY
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============================================================
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Total generated: 1000
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Valid SMILES: 976 (97.6%)
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Lipinski-compliant: 687 (70.4% of valid)
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Internal diversity: 0.6387
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MACCS clusters (≥0.7): 448
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Average cluster size: 2.18
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Largest cluster size: 15
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============================================================
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✅ Results dictionary created
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✅ Valid SMILES saved to 'generated_valid_2500.smi'
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```
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**PCA & t-SNE of MACCS:**
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## ❤️ Support the Project
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