by Thanos Panagiotidis | May 16, 2022 | Downloads, Scripts/Addons
Export to Excel The Export to Excel script provides a quick and easy way to transfer the contents of a data set straight into Microsoft® Excel®. The necessary files and instructions for how to install and use the script are provided in the following pages…... by Thanos Panagiotidis | May 16, 2022 | Downloads, Scripts/Addons
AtlasCBS This AtlasCBS script, created by Dr Cele Abad-Zapatero of the University of Illinois at Chicago and Alvaro Cortes from the University of Alcala de Henares (Madrid), enables you to explore chemico-biological space using Ligand Efficiency Indices (LEIs) as... by Thanos Panagiotidis | May 16, 2022 | Downloads, Scripts/Addons
Lipophilicity Efficiency This script provides a method for calculating Lipophilicity Efficiency; a simple metric for considering how much of the ligand’s ability to bind is due to high lipophilicity, thus introducing additional risk of poor permeability or high... by Thanos Panagiotidis | May 16, 2022 | Downloads, Scripts/Addons
Ligand Efficiency This script provides a method for calculating Ligand Efficiency; a simple metric for assessing whether a ligand derives its potency from having an optimal fit with the protein target or simply by virtue of making many contacts. The installer file and... by Thanos Panagiotidis | May 16, 2022 | Downloads, Scripts/Addons
Find Similar Compounds in PubChem, ChEMBL or the PDB This script provides the ability to search PubChem, ChEMBL or the PDB for similar compounds. The installer file and instructions for how to install and use the script are provided in the following pages…...
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