Abstract
By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News-New research on Artificial Intelligenc e is the subject of a report. According to news reporting out of Shanghai, Peopl e's Republic of China, by NewsRx editors, research stated, "The identification o f neonicotinoid insecticides bearing novel scaffolds is of great importance for pesticide discovery. Here, artificial intelligence-based tools and virtual scree ning strategy were integrated to discover potential leads of neonicotinoid insec ticides." Our news journalists obtained a quote from the research from the East China Univ ersity of Science and Technology, "A deep generative model was successfully cons tructed using a recurrent neural network combined with transfer learning. The mo del evaluation showed that the pretrained model could accurately grasp the SMILE S grammar of drug-like molecules and generate potential neonicotinoid compounds after transfer learning. The generated molecules were evaluated by hierarchical virtual screening, hits were subjected to a similarity search, and the most simi lar structures were purchased for the bioassay. Compounds and displayed 52.5 and 50.3% mortality rates against at 100 mg/L, respectively." According to the news editors, the research concluded: "The docking study indica ted that these two compounds have similar binding modes to neonicotinoids, which were verified by further molecular dynamics simulations."
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