A guide to drug discovery: Hit and lead generation: beyond high-throughput screening

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New design strategies for antidepressant drugs (2013, methodology): “Disadvantages of the method include low ‘hit’ rate (sometimes precisely because of the increased diversity), complexity of structures, the presence of structurally impure compounds, occasional lack of drug-like features in a compound and limited options for chemical modification [71-73].”
Frequent substructure-based approaches for classifying chemical compounds (2003, background): “properties, and geometric descriptors tend to outperform their topological counterparts [7], [12], [75].”
DeepSynergy: predicting anti-cancer drug synergy with Deep Learning (2017, background): “A large number of measurements can be produced in reasonable time at low costs (Bajorath, 2002; Bleicher et al. , 2003; White, 2000).”