{"title":"Spaces of mathematical chemistry","authors":"Guillermo Restrepo","doi":"10.1007/s12064-024-00425-4","DOIUrl":null,"url":null,"abstract":"<p>In an effort to expand the domain of mathematical chemistry and inspire research beyond the realms of graph theory and quantum chemistry, we explore five mathematical chemistry spaces and their interconnectedness. These spaces comprise the chemical space, which encompasses substances and reactions; the space of reaction conditions, spanning the physical and chemical aspects involved in chemical reactions; the space of reaction grammars, which encapsulates the rules for creating and breaking chemical bonds; the space of substance properties, covering all documented measurements regarding substances; and the space of substance representations, composed of the various ontologies for characterising substances.</p>","PeriodicalId":54428,"journal":{"name":"Theory in Biosciences","volume":null,"pages":null},"PeriodicalIF":1.3000,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Theory in Biosciences","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1007/s12064-024-00425-4","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
In an effort to expand the domain of mathematical chemistry and inspire research beyond the realms of graph theory and quantum chemistry, we explore five mathematical chemistry spaces and their interconnectedness. These spaces comprise the chemical space, which encompasses substances and reactions; the space of reaction conditions, spanning the physical and chemical aspects involved in chemical reactions; the space of reaction grammars, which encapsulates the rules for creating and breaking chemical bonds; the space of substance properties, covering all documented measurements regarding substances; and the space of substance representations, composed of the various ontologies for characterising substances.
期刊介绍：
Theory in Biosciences focuses on new concepts in theoretical biology. It also includes analytical and modelling approaches as well as philosophical and historical issues. Central topics are:
Artificial Life;
Bioinformatics with a focus on novel methods, phenomena, and interpretations;
Bioinspired Modeling;
Complexity, Robustness, and Resilience;
Embodied Cognition;
Evolutionary Biology;
Evo-Devo;
Game Theoretic Modeling;
Genetics;
History of Biology;
Language Evolution;
Mathematical Biology;
Origin of Life;
Philosophy of Biology;
Population Biology;
Systems Biology;
Theoretical Ecology;
Theoretical Molecular Biology;
Theoretical Neuroscience & Cognition.
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