Bactericide Drug Reprofiling/Repositioning for Tuberculosis: A Cheminformatics approach
58 molecules tested for the permiability through the cell wall of Mtb using MycPermCheck version 1.1
So we are trying to complete the clustering using WEKA or any other clustering related tools.
Click TEXT below in Red color to download the Screening Result:-
Five models with five different Cost prepared Using Random Forest Classifier
Finally Result with Cost 7 ,9 & 10 discarded since the Observed False Positive rate is more than 20 % violating the rule for selection of best model.
We have considered cost 22 & 23 for final analysis
Final Sheet of Screening Results; Screening Results
Group is trying to do re-profiling of pesticides “chemical” from EPA “Environmental Protection Agency” and other web resources having some activity against tuberculosis to develop a drug against mdr and xdr TB using computational chemistry tools like weka (Weka is a collection of machine learning algorithms for data mining tasks) in combination with Power Mv for descriptor generation and other resources.
screening of the pesticide database using model aid 1332-random forest classifier with cost 7,9,10,22,23 have been done.
(74 inactive &
(137 inactive &
(108 inactive &
(162 inactive &
(220 inactive &