0000000001080867

AUTHOR

Milagros García Bernal

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In silicoAntibacterial Activity Modeling Based on the TOMOCOMD-CARDD Approach

2015

In the recent times, the race to cope with the increasing multidrug resistance of pathogenic bacteria has lost much of its momentum and health professionals are grasping for solutions to deal with the unprecedented resistance levels. As a result, there is an urgent need for a concerted effort towards the development of new antimicrobial drugs to stay ahead in the fight against the ever adapting bacteria. In the present report, antibacterial classification functions (models) based on the topological molecular computational design-computer aided >rational> drug design (TOMOCOMD-CARDD) atom-based non-stochastic and stochastic bilinear indices are presented. These models were built using the li…

Virtual screeningQuantitative structure–activity relationshipVirtual screeninglinear discriminant analysisLinear discriminant analysisQSARTOMOCOMD-CARDD softwareIn silicoDegrees of freedom (statistics)Bilinear interpolationNanotechnologyGeneral Chemistryatom-based bilinear indexvirtual screeningLinear discriminant analysisRange (mathematics)antibacterial activityAtom-based bilinear indexAntibacterial activityBiological systemAntibacterial activityMathematicsJournal of the Brazilian Chemical Society
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