首页|East China University of Science and Technology Reports Findings in Artificial I ntelligence (Discovery of Potential Neonicotinoid Insecticides by an Artificial Intelligence Generative Model and Structure-Based Virtual Screening)
East China University of Science and Technology Reports Findings in Artificial I ntelligence (Discovery of Potential Neonicotinoid Insecticides by an Artificial Intelligence Generative Model and Structure-Based Virtual Screening)
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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."
ShanghaiPeople's Republic of ChinaAs iaArtificial IntelligenceEmerging TechnologiesInsecticidesMachine Learni ng
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