Shapley Value Expressed Tanimoto similarity (SVETA) — Data for evaluation
Published: 16 August 2022| Version 1 | DOI: 10.17632/hz3pjthz2t.1
Contributors:
, Description
The Shapley Value-Expressed Tanimoto similarity (SVETA) approach enables the efficient calculation of exact Shapley values for support vector machine predictions using the Tanimoto kernel. An exemplary analysis was carried using the data set provided herein, consisting of compounds active against the adenosine receptor A3 (UniProt ID: P0DMS8) and randomly selected compounds with other activities. Please, also see: https://zenodo.org/record/6792073
Files
Institutions
Rheinische Friedrich-Wilhelms-Universitat Bonn
Categories
Cheminformatics, Explainable Artificial Intelligence