{"title":"化学和材料科学中的计算机建模和机器学习:从有机和无机小分子的性质和反应到聚合物和复合材料的智能设计","authors":"Alexander S. Novikov","doi":"10.3390/compounds3030034","DOIUrl":null,"url":null,"abstract":"Computer modeling, machine learning, and artificial intelligence are currently considered cutting-edge topics in chemistry and materials science. The application of information technologies in natural sciences can help researchers collect big data and understand patterns that are not obvious to humans. In this perspective, I would like to highlight the recent achievements of our research group and other researchers in relation to computer modeling and machine learning in chemistry and materials science.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"61 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Computer Modeling and Machine Learning in Chemistry and Materials Science: From Properties and Reactions of Small Organic and Inorganic Molecules to the Smart Design of Polymers and Composites\",\"authors\":\"Alexander S. Novikov\",\"doi\":\"10.3390/compounds3030034\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Computer modeling, machine learning, and artificial intelligence are currently considered cutting-edge topics in chemistry and materials science. The application of information technologies in natural sciences can help researchers collect big data and understand patterns that are not obvious to humans. In this perspective, I would like to highlight the recent achievements of our research group and other researchers in relation to computer modeling and machine learning in chemistry and materials science.\",\"PeriodicalId\":10621,\"journal\":{\"name\":\"Compounds\",\"volume\":\"61 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-08-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Compounds\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3390/compounds3030034\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Compounds","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/compounds3030034","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Computer Modeling and Machine Learning in Chemistry and Materials Science: From Properties and Reactions of Small Organic and Inorganic Molecules to the Smart Design of Polymers and Composites
Computer modeling, machine learning, and artificial intelligence are currently considered cutting-edge topics in chemistry and materials science. The application of information technologies in natural sciences can help researchers collect big data and understand patterns that are not obvious to humans. In this perspective, I would like to highlight the recent achievements of our research group and other researchers in relation to computer modeling and machine learning in chemistry and materials science.