Identification of concealed structural alerts using QSTR modeling for Pseudokirchneriella subcapitata
Vijay H. Masand, Magdi E. A. Zaki, Sami A. Al‐Hussain, Anis Ben Ghorbal, Siddhartha Akasapu, Israa Lewaa, Arabinda Ghosh, Rahul D. Jawarkar
Topics & Concepts
Applicability domainRobustness (evolution)Quantitative structure–activity relationshipBiological systemLinear regressionComputer scienceEC50Homogeneity (statistics)Data miningChemistryMachine learningBiologyBiochemistryGeneIn vitroComputational Drug Discovery Methodsthermodynamics and calorimetric analysesAnalytical Chemistry and Chromatography