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oai:repisalud.isciii.es:20.500.12105/233152024-11-29T03:47:29Zcom_20.500.12105_15322com_20.500.12105_2051col_20.500.12105_16967

00925njm 22002777a 4500 dc Frasser, Christiam F author de Benito, Carola author Skibinsky-Gitlin, Erik S author Canals, Vincent author Font-Rossello, Joan author Roca, Miquel author Ballester, Pedro J author Rossello, Josep L author 2021-12 Stochastic computing is an emerging scientific field pushed by the need for developing high-performance artificial intelligence systems in hardware to quickly solve complex data processing problems. This is the case of virtual screening, a computational task aimed at searching across huge molecular databases for new drug leads. In this work, we show a classification framework in which molecules are described by an energy-based vector. This vector is then processed by an ultra-fast artificial neural network implemented through FPGA by using stochastic computing techniques. Compared to other previously published virtual screening methods, this proposal provides similar or higher accuracy, while it improves processing speed by about two or three orders of magnitude. Frasser CF, de Benito C, Skibinsky-Gitlin ES, Canals V, Font-Rossello J, Roca M, et al. Using Stochastic Computing for Virtual Screening Acceleration. Electronics. 2021 Dec;10(23):2981. https://hdl.handle.net/20.500.13003/19897 https://hdl.handle.net/20.500.12105/23315 10.3390/electronics10232981 2079-9292 Electronics 2-s2.0-85120163496 735223300001 Stochastic computing Hardware acceleration Virtual screening Using Stochastic Computing for Virtual Screening Acceleration