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A model for capturing provenance of assertions about chemical substances
[article]
2018
Figshare
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In this paper, we propose a model for capturing provenance of assertions about chemical substances by systematically analyzing three sources: (i) Nanopublications, (ii) Wikidata and (iii) selected Minimal ...
We analyse provenance terms used in these sources along with their frequency of use and synthesize our findings into a preliminary model for capturing provenance. ...
We then synthesise our findings to propose a preliminary model for capturing provenance of assertions about chemical substances. ...
doi:10.6084/m9.figshare.7325189
fatcat:axlb5pseajawhkz6uh42j3yyaq
PubChemRDF: towards the semantic annotation of PubChem compound and substance databases
2015
Journal of Cheminformatics
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Semantic relationships between compounds and substances, chemical descriptors associated with compounds and substances, interrelationships between chemicals, as well as provenance and attribute metadata ...
PubChem is an open repository for chemical structures, biological activities and biomedical annotations. ...
As such, there can be many providers of information about a particular chemical substance (e.g., aspirin). ...
doi:10.1186/s13321-015-0084-4
pmid:26175801
pmcid:PMC4500850
fatcat:jnivinfhgbc77atpq5gshj7kp4
The Chemical Information Ontology: Provenance and Disambiguation for Chemical Data on the Biological Semantic Web
2011
PLoS ONE
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Here, we describe our work in developing an ontology of chemical information entities, with a primary focus on data-driven research and the integration of calculated properties (descriptors) of chemical ...
Ontologies enable the definition, classification, and support for querying objects in a particular domain, enabling intelligent computer applications to be built which support the work of scientists both ...
Acknowledgments The authors would like to thank Colin Batchelor, Andrew Dalke, Ola Spjuth, Peter Murray-Rust, Alan Ruttenberg and Robert Hoehndorf for comments on the ideas contained in this manuscript ...
doi:10.1371/journal.pone.0025513
pmid:21991315
pmcid:PMC3184996
fatcat:sm3qaz2fcja2pkwrdiby3u2kb4
ChemAxiom – An Ontological Framework for Chemistry in Science
2009
Nature Precedings
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ChemAxiom enables discourse about chemical objects in a computable language and is useful for the management of chemical concepts and data, the retrospective typing of resources, the identification of ...
We present ChemAxiom as the first ontological framework for chemistry in science. ...
ChemAxiomMeta will allow the specification of the provenance of chemical data and information. ...
doi:10.1038/npre.2009.3714.1
fatcat:5xuhzxfqnzez7doq6qoakpjqp4
Dialectical argumentation for reasoning about chemical carcinogenicity
2001
Logic Journal of the IGPL
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Suppose we have a knowledge base containing the following agreed facts, labeled K1 through K11, about chemicals X , Y and Z: K1: Elements of the chemical structures of Y and Z are similar. ...
To model such debates, we propose the use of a form of dialectical argumentation, drawing on Habermas' philosophy of Discourse Ethics [9] and Pera's philosophy of science [18] . ...
An earlier version of this paper was presented at the Symposium on Practical Reasoning organized by the ...
doi:10.1093/jigpal/9.2.175
fatcat:74mt3vvcfrcq3ggpcrsqwmghsa
Usage and applications of Semantic Web techniques and technologies to support chemistry research
2014
Journal of Cheminformatics
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in physical chemistry; a controlled vocabulary for the classification and labelling of chemical substances and mixtures; and, a database of chemical identifiers. ...
for the use of such a service. ...
Stohner of the Zurich University of Applied Sciences for his provision of the L A T E X source for the IUPAC Green Book. The authors would like to thank C. ...
doi:10.1186/1758-2946-6-18
pmid:24855494
pmcid:PMC4030021
fatcat:ut3a76j4fzg2jgyrzxiqnmrzkq
Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences
2013
Chemical Society Reviews
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Among our conclusions, we present our choice of the "grand challenges" for the preservation and sharing of chemical information. ...
Recently, a number of organisations have called for open access to scientific information and especially to the data obtained from publicly funded research, among which the Royal Society report and the ...
Acknowledgements The authors would like to acknowledge the support of the Smart Research Framework (JISC) project, EPSRC funded CombeChem e-Science (GR/R67729/01, EP/C008863/1) and the e-Research South ...
doi:10.1039/c3cs60050e
pmid:23686012
fatcat:dibiolkg4zgixp6npavea765ze
The Use of Expert Systems for Toxicology Risk Prediction
[chapter]
2005
Predictive Toxicology
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We also examine two expert systems-derek, which predicts a variety of types of toxicology, and star, which predicts carcinogenicity-in some detail. star reasons about carcinogenicity using a system of ...
The field of artificial intelligence has identified a number of ways of doing this, and some of these approaches are briefly described in this chapter. ...
FROM A pure chemical substance TO A chemical compound. Most chemicals to which people are exposed are compounds of several chemicals, not pure substances. ...
doi:10.1201/9780849350351.ch5
fatcat:7yyj43nanfe3vngivttvw6grga
A semantic datagrid for combinatorial chemistry
2005
The 6th IEEE/ACM International Workshop on Grid Computing, 2005.
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In this paper we describe the datagrid element of the project, which provides a platform for sophisticated scientific queries and a rich record of experimental data and its provenance. ...
This datagrid constitutes a significant deployment of Semantic Web technologies and we propose it as an example of a 'Semantic Datagrid'. ...
For example, one may have a density of substance in any of common states of matter, or computed structures may be created in vacuum or a solvent shell. ...
doi:10.1109/grid.2005.1542736
dblp:conf/grid/TaylorGEFHR05
fatcat:ujsd7o75fbdl3hxo7rbcputai4
Life cycle impact assessment sophistication
1999
The International Journal of Life Cycle Assessment
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implications of allowing impact cat egories to be assessed at "midpoint" vs. at "endpoint" level, 4) the difficulty of assessing and capturing the comprehensiveness of the environmental health impact ...
Prominent practitioners and researchers were invited to present a critical review of the associated factors, including the current limita tions of available impact assessment methodologies and a com parison ...
for comparative assertions. ...
doi:10.1007/bf02979184
fatcat:fiye4te7ubabnili4kuknm2aya
A HISTORICAL APPROACH TO THE DEVELOPMENT OF CHEMICAL EQUILIBRIUM THROUGH THE EVOLUTION OF THE AFFINITY CONCEPT: SOME EDUCATIONAL SUGGESTIONS
2004
Chemistry education
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Berthollet reworked this idea, considering that the amount of the substances involved in a reaction was a key factor accounting for the chemical forces. ...
The historical approach of the first key ideas may serve as a basis for an appropriate sequencing of the teaching and learning of chemical equilibrium. ...
ACKNOWLEDGEMENT: The author is grateful to the following: (a) the two reviewers for their valuable comments; (b) Professor Mansoor Niaz and the Editor for helping with the revision of the initial manuscript ...
doi:10.1039/b3rp90031b
fatcat:2lfew7af2zb3bfdpabnsq7xqvu
Novel Systems and Membrane Technologies for Carbon Capture
2021
International Journal of Chemical Engineering
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For instance, some membranes are hydrophobic in nature, which makes them unsuitable for carbon capture operations; hence, it is necessary to consider modifying properties such as thermal stability, chemical ...
Advances in carbon capture research have led to the use of ionic liquids, enzyme-based systems, microbial filters, membranes, and metal-organic frameworks in capturing CO2. ...
Acknowledgments e management of Covenant University is appreciated for making available online resources and library archives all through the developmental stages of this manuscript. ...
doi:10.1155/2021/6642906
fatcat:xf2vrx4pg5burdaxksibhzmabe
Fairtrace - A Semantic-web Oriented Traceability Solution Applied to the Textile Traceability
english
2013
Proceedings of the 15th International Conference on Enterprise Information Systems
english
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and to be fully usable to non-IT people, including for the modeling of the production processes. ...
Objectives are the identification of the supply-chain, order management, tracking and problem reporting (such as dangerous substance detection). ...
supported us with a research license for BigOWLIM. ...
doi:10.5220/0004440900360045
dblp:conf/iceis/AlvesSCCCWGBGC13
fatcat:msorpqly4vhylhimya742b4564
Naked in the Face of Contamination
2020
Catalyst Feminism Theory Technoscience
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in a place of environmental hazard, and for building a more inclusive politics of knowledge production in models and assessments of toxicity. ...
refuse hegemonic assumptions about how chemicals alter and enable life. ...
I am indebted to their commitment, as well as that of many of their compañeros, to making life more liveable. ...
doi:10.28968/cftt.v6i1.32093
fatcat:xwvlhstqbjcklguggokekaxmyy
An Ontology Framework for Water Quality Management
2013
International Semantic Web Conference
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Our vision is to build a pure Semantic Web framework for effective management of water quality. ...
A couple of case studies from surface waters and drinking waters have been used to illustrate the usability of the proposed ontology. ...
, implemented by University of Prishtina. ...
dblp:conf/semweb/AhmediJA13
fatcat:ppfipprekngwlgoyrvcjr7k3eu
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