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An R script that uses MACCS166 chemical fingerprint and calculates Jaccard Index/Tanimoto Coefficient for a list of Aspartate Racemase Ligands

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Amirreza-Mousavi/Aspartate_Racemase_Ligands_Simlarity_Score

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Aspartate_Racemase_Ligands_Simlarity_Score

An R script that uses MACCS166 chemical fingerprint and calculates Jaccard Index/Tanimoto Coefficient for a list of Aspartate Racemase Ligands

Installation

Make sure to have installed Rcpi in your Rstudio IDE.

About the dataset

Please refer to the readme section of this repository

About

An R script that uses MACCS166 chemical fingerprint and calculates Jaccard Index/Tanimoto Coefficient for a list of Aspartate Racemase Ligands

Topics

r chemoinformatics ligand dti jaccard-index tanimoto-coefficient dti-prediction maccs-fingerprint aspartate-racemase

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Readme

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MIT license
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