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The accumulation of massive data in the plethora of Cheminformatics databases has made the role of big data and artificial intelligence (AI) indispensable in drug design. This has necessitated the development of newer algorithms and architectures to mine these databases and fulfil the specific needs of various drug discovery processes such as virtual drug screening, de novo molecule design and discovery in this big data era. The development of deep learning neural networks and their variantsdoi:10.1007/s11030-021-10256-w pmid:34159484 pmcid:PMC8219515 fatcat:p3lsp57x6rbnxgxdu7y5dggdeu