论文标题
化学本体论的概述
Overview of chemical ontologies
论文作者
论文摘要
本体学以形式和语义的方式对某个领域的知识进行了订单和互连知识,以便它们是可靠的。他们试图定义概念和对象的所有地方可接受的定义,对它们进行分类,提供属性以及与关系互连(例如,“ A是B的特殊情况”)。更确切地说,汤姆·格鲁伯(Tom Gruber)将本体论定义为“概念化的规范; [...]一种概念和关系的描述(例如对程序或代理商社区可能存在的概念和关系的形式规范)”。 [1]本体是由在课堂上组织的个体组成的。两者都可以彼此之间有属性和关系。一些复杂的本体论定义了改变属性或关系的限制,规则和事件。为了使计算机访问它们是用某些本体论语言编写的,例如OBO语言或更常用的常见代数规范语言。随着必须找到共同标准的数字化,相互联系和全球化的世界的上升,本体论引起了极大的兴趣。 [2]然而,化学本体论的发展是一开始的。的确,可以找到一些有趣的化学本体论方法,但是它们遭受了两个主要缺陷。首先,我们发现它们主要是碎片完成或仍处于建筑状态。其次,显然没有被广泛接受化学本体论。因此,我们在这里试图描述有关化学分析方法的化学相关领域的主要本体论发展,涉及名称反应和有关科学单位的本体论。
Ontologies order and interconnect knowledge of a certain field in a formal and semantic way so that they are machine-parsable. They try to define allwhere acceptable definition of concepts and objects, classify them, provide properties as well as interconnect them with relations (e.g. "A is a special case of B"). More precisely, Tom Gruber defines Ontologies as a "specification of a conceptualization; [...] a description (like a formal specification of a program) of the concepts and relationships that can exist for an agent or a community of agents." [1] An Ontology is made of Individuals which are organized in Classes. Both can have Attributes and Relations among themselves. Some complex Ontologies define Restrictions, Rules and Events which change attributes or relations. To be computer accessible they are written in certain ontology languages, like the OBO language or the more used Common Algebraic Specification Language. With the rising of a digitalized, interconnected and globalized world, where common standards have to be found, ontologies are of great interest. [2] Yet, the development of chemical ontologies is in the beginning. Indeed, some interesting basic approaches towards chemical ontologies can be found, but nevertheless they suffer from two main flaws. Firstly, we found that they are mostly only fragmentary completed or are still in an architecture state. Secondly, apparently no chemical ontology is widespread accepted. Therefore, we herein try to describe the major ontology-developments in the chemical related fields Ontologies about chemical analytical methods, Ontologies about name reactions and Ontologies about scientific units.