Institution
Royal Society of Chemistry
Nonprofit•London, United Kingdom•
About: Royal Society of Chemistry is a nonprofit organization based out in London, United Kingdom. It is known for research contribution in the topics: Ontology (information science) & Cheminformatics. The organization has 121 authors who have published 245 publications receiving 6250 citations. The organization is also known as: Burlington House & The Royal Society of Chemistry.
Topics: Ontology (information science), Cheminformatics, Semantic Web, Quantum dot, Open Biomedical Ontologies
Papers published on a yearly basis
Papers
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TL;DR: ChemSpider is a free, online chemical database offering access to physical and chemical properties, molecular structure, spectral data, synthetic methods, safety information, and nomenclature for almost 25 million unique chemical compounds sourced and linked to almost 400 separate data sources on the Web.
Abstract: ChemSpider is a free, online chemical database offering access to physical and chemical properties, molecular structure, spectral data, synthetic methods, safety information, and nomenclature for almost 25 million unique chemical compounds sourced and linked to almost 400 separate data sources on the Web. ChemSpider is quickly becoming the primary chemistry Internet portal and it can be very useful for both chemical teaching and research.
859 citations
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University of Milano-Bicocca1, University of Strasbourg2, Novartis3, Chelyabinsk State Medical Academy4, Moscow State University5, University of Medicine and Dentistry of New Jersey6, University of British Columbia7, Universidade Nova de Lisboa8, Henan University9, University of Cambridge10, École Polytechnique Fédérale de Lausanne11, Royal Society of Chemistry12
TL;DR: The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling and to invite the original authors to contribute their results, make them publicly available, share them with other users and to become members of the growing research community.
Abstract: The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling. The platform consists of two major subsystems: the database of experimental measurements and the modeling framework. A user-contributed database contains a set of tools for easy input, search and modification of thousands of records. The OCHEM database is based on the wiki principle and focuses primarily on the quality and verifiability of the data. The database is tightly integrated with the modeling framework, which supports all the steps required to create a predictive model: data search, calculation and selection of a vast variety of molecular descriptors, application of machine learning methods, validation, analysis of the model and assessment of the applicability domain. As compared to other similar systems, OCHEM is not intended to re-implement the existing tools or models but rather to invite the original authors to contribute their results, make them publicly available, share them with other users and to become members of the growing research community. Our intention is to make OCHEM a widely used platform to perform the QSPR/QSAR studies online and share it with other users on the Web. The ultimate goal of OCHEM is collecting all possible chemoinformatics tools within one simple, reliable and user-friendly resource. The OCHEM is free for web users and it is available online at http://www.ochem.eu.
416 citations
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TL;DR: The challenges and how the Open PHACTS project is hoping to address these challenges technically and socially are laid out.
298 citations
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University of California, San Diego1, BC Cancer Research Centre2, University of Arkansas for Medical Sciences3, Oregon Health & Science University4, Drexel University5, University of Maryland, Baltimore6, Thermo Fisher Scientific7, Simon Fraser University8, Vrije Universiteit Brussel9, Stanford University10, Research Triangle Park11, National Institutes of Health12, Royal Society of Chemistry13, University of Oxford14, University of Michigan15, University at Buffalo16, Newcastle University17, European Bioinformatics Institute18, University of Pennsylvania19, Southern Methodist University20, University of Manchester21, La Jolla Institute for Allergy and Immunology22, J. Craig Venter Institute23, Leibniz Association24, Brunel University London25, Georgia State University26
TL;DR: The state of OBI and several applications that are using it are described, such as adding semantic expressivity to existing databases, building data entry forms, and enabling interoperability between knowledge resources.
Abstract: The Ontology for Biomedical Investigations (OBI) is an ontology that provides terms with precisely defined meanings to describe all aspects of how investigations in the biological and medical domains are conducted. OBI re-uses ontologies that provide a representation of biomedical knowledge from the Open Biological and Biomedical Ontologies (OBO) project and adds the ability to describe how this knowledge was derived. We here describe the state of OBI and several applications that are using it, such as adding semantic expressivity to existing databases, building data entry forms, and enabling interoperability between knowledge resources. OBI covers all phases of the investigation process, such as planning, execution and reporting. It represents information and material entities that participate in these processes, as well as roles and functions. Prior to OBI, it was not possible to use a single internally consistent resource that could be applied to multiple types of experiments for these applications. OBI has made this possible by creating terms for entities involved in biological and medical investigations and by importing parts of other biomedical ontologies such as GO, Chemical Entities of Biological Interest (ChEBI) and Phenotype Attribute and Trait Ontology (PATO) without altering their meaning. OBI is being used in a wide range of projects covering genomics, multi-omics, immunology, and catalogs of services. OBI has also spawned other ontologies (Information Artifact Ontology) and methods for importing parts of ontologies (Minimum information to reference an external ontology term (MIREOT)). The OBI project is an open cross-disciplinary collaborative effort, encompassing multiple research communities from around the globe. To date, OBI has created 2366 classes and 40 relations along with textual and formal definitions. The OBI Consortium maintains a web resource (http://obi-ontology.org) providing details on the people, policies, and issues being addressed in association with OBI. The current release of OBI is available at http://purl.obolibrary.org/obo/obi.owl.
265 citations
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TL;DR: It is suggested here that with current in silico technologies and databases of the structures and biological activities of chemical compounds (drugs) and related data, as well as close integration with in vitro screening data, improved opportunities for drug repurposing will emerge for neglected or rare/orphan diseases.
263 citations
Authors
Showing all 121 results
Name | H-index | Papers | Citations |
---|---|---|---|
Tom Welton | 69 | 205 | 34704 |
John J. L. Morton | 56 | 267 | 13524 |
Akon Higuchi | 51 | 291 | 8215 |
Duncan W. Bruce | 50 | 340 | 10363 |
David Phillips | 50 | 232 | 9414 |
Antony J. Williams | 48 | 252 | 8711 |
Keith S. Taber | 43 | 274 | 8111 |
Tom Fearn | 42 | 280 | 8923 |
Jeffrey Harmer | 36 | 109 | 3329 |
Dietrich Rebholz-Schuhmann | 33 | 154 | 3899 |
Maria Liakata | 32 | 145 | 4912 |
Kyriakos Porfyrakis | 30 | 128 | 3072 |
Kirill A. Blinov | 27 | 71 | 1666 |
Mikhail E. Elyashberg | 26 | 74 | 1639 |
Imtaiyaz Hassan | 22 | 95 | 1583 |