Integrated virtual screening, molecular modeling and machine learning approaches revealed potential natural inhibitors for epilepsy.

"appendix a supplementary material the following are the supplementary data to this article: supplementary data 1 table s1 : details of the 56 active molecules against the s100b protein target in epilepsy including smiles notation binary activity labels and extracted features.; supplementary data 2 table s1 : training set data including smiles notation binary activity labels and extracted features for each molecule after preprocessing.; supplementary data 3 table s1 : test set data comprising smiles notation binary activity labels and extracted features for each molecule after preprocessing.; supplementary data 4 main code for using random forest model."

"Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper."

"The author would like to thank the Deanship of Scientific Research at 10.13039/501100007470Shaqra University for supporting this work."