{"title":"Inside Cover Picture","authors":"","doi":"10.1002/cjoc.202490172","DOIUrl":null,"url":null,"abstract":"<p>A machine learning-based comprehensive Bond Dissociation Energy (BDE) prediction model was established, which is useful for understanding the chemical properties and reactivities of molecules. Differential Structural and PhysicOChemical (D-SPOC) descriptors that reflected changes in molecules’ structural and physicochemical features in the process of bond homolysis were developed as input features, which enabled the precise prediction. More details are discussed in the article by Zhang <i>et al</i>. on page 1967—1974.\n <figure>\n <div><picture>\n <source></source></picture><p></p>\n </div>\n </figure></p>","PeriodicalId":151,"journal":{"name":"Chinese Journal of Chemistry","volume":"42 17","pages":"1942"},"PeriodicalIF":5.5000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjoc.202490172","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chinese Journal of Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cjoc.202490172","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
A machine learning-based comprehensive Bond Dissociation Energy (BDE) prediction model was established, which is useful for understanding the chemical properties and reactivities of molecules. Differential Structural and PhysicOChemical (D-SPOC) descriptors that reflected changes in molecules’ structural and physicochemical features in the process of bond homolysis were developed as input features, which enabled the precise prediction. More details are discussed in the article by Zhang et al. on page 1967—1974.
期刊介绍：
The Chinese Journal of Chemistry is an international forum for peer-reviewed original research results in all fields of chemistry. Founded in 1983 under the name Acta Chimica Sinica English Edition and renamed in 1990 as Chinese Journal of Chemistry, the journal publishes a stimulating mixture of Accounts, Full Papers, Notes and Communications in English.
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