Virtual Screening for Bioactive Molecules

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A guide to drug discovery: Hit and lead generation: beyond high-throughput screening (2003, methodology): “These computational algorithms are often based on sub-structural analysis methods, similarity-searching techniques or artificial neural network”
Frequent substructure-based approaches for classifying chemical compounds (2003, methodology): “The 1990s saw the widespread adoption of high-throughput screening (HTS) and ultra HTS [13], [35], which use highly automated techniques to conduct the biological assays and can be used to screen a large number of compounds.”
Comparison of descriptor spaces for chemical compound retrieval and classification (2006, methodology): “We will refer to this descriptor space as FS .”
Frequent sub-structure-based approaches for classifying chemical compounds (2005, methodology): “The 1990s saw the widespread adoption of high-throughput screening (HTS) and ultra HTS [ 13 ], [35], which use highly automated techniques to conduct the biological assays and can be used to screen a large number of compounds.”