Exploring Data-Driven Chemical SMILES Tokenization Approaches to Identify Key Protein-Ligand Binding Moieties
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This repository contains materials for the paper, "Exploring Data-Driven Chemical SMILES Tokenization Approaches to Identify Key Protein-Ligand Binding Moieties", published in Molecular Informatics. `data.zip` contains vocabulary and dataset files for identifying chemical vocabularies and key chemical words associated with protein ligand binding. `results.zip` comprises outputs specific to vocabularies and datasets, as well as various related statistics.
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Zenodo创建时间：
2023-12-01
