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Update README.md
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Souravpal50 authored Jan 29, 2025
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Expand Up @@ -19,8 +19,8 @@ This repository contains the following:
- `Dataset file for 1st model.zip/`: This zip folder contains dataset compounds from different screened libraries in .xlsx format, used for the first model preparation.
- `Dataset file for 2nd model.zip/`: This zip folder contains dataset compounds from different screened libraries in .xlsx format, used for the second model preparation.

- `all dataset molecules for 1st model.sdf`: All the dataset molecules in .sdf format, used for the first model preparation.
- `all dataset molecules for the second model.sdf`: All the dataset molecules in .sdf format, were used for the second model preparation.
- `all dataset molecules for 1st model.zip`: This zip folder contains all the dataset molecules in .sdf format, used for the first model preparation.
- `all dataset molecules for the second model.zip`: This zip folder contains all the dataset molecules in .sdf format, used for the second model preparation.

**KNIME Workflows**
- _Hyperparameter Optimization Workflows_:
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