tailieuchung - A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction

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A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction

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Molecular structures can be represented as strings of special characters using SMILES. Since each molecule is represented as a string, the similarity between compounds can be computed using SMILES-based string similarity functions. Most previous studies on drug-target interaction prediction use 2D-based compound similarity kernels such as SIMCOMP. |

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A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction

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