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Information retrieval (IR) in computing and information science is the task of identifying and retrieving information system resources that are relevant to an information need. The information need can be specified in the form of a search query. In the case of document retrieval, queries can be based on full-text or other content-based indexing. Information retrieval is the science of searching for information in a document, searching for documents themselves, and also searching for the metadata that describes data, and for databases of texts, images or sounds.
Cheminformatics refers to the use of physical chemistry theory with computer and information science techniques—so called "in silico" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such in silico techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied.
John Charles Polanyi is a German-born Canadian chemist. He was awarded the 1986 Nobel Prize in Chemistry for his research in chemical kinetics.
Michael E. Lesk is an American computer scientist.
Michael Keeble Buckland is an emeritus professor at the UC Berkeley School of Information and co-director of the Electronic Cultural Atlas Initiative.
Henry Stephen Rzepa is a chemist and Emeritus Professor of Computational Chemistry at Imperial College London.
ISIS/Draw was a chemical structure drawing program developed by MDL Information Systems. It introduced a number of file formats for the storage of chemical information that have become industry standards.
Robert Mayo Hayes was an American professor and dean of the Graduate School of Library and Information Science (1974–1989), now the Graduate School of Education and Information Studies, at the University of California, Los Angeles (UCLA). An expert on information systems, Hayes began his academic career in mathematics and went on to become a pioneer in the field of information science.
The Chemical Structure Association Trust is an internationally recognized, registered charity which promotes education, research and development in the field of storage, processing and retrieval of information about chemical structures, reactions and compounds. Since 2003 it has incorporated the activities of the former Chemical Structure Association.
William Theilheimer, who was born in Augsburg, Germany, played a significant role in the history of what is now known as chemoinformatics.
Peter Willett is an Emeritus Professor of Information Science at the University of Sheffield, England.
The Information School or iSchool of the University of Sheffield, in Sheffield, South Yorkshire, England, was founded in 1963 as the University's Postgraduate School of Librarianship and became in 2010 the first UK iSchool. Other names were the Postgraduate School of Librarianship and Information Science and Department of Information Studies (1981-2011). As of 2021, it employs 33 academic staff, 16 administrative/support staff, 6 affiliated research staff, and has about 65 research students. The current head of school is Professor Val Gillet.
Reaxys is a web-based tool for the retrieval of information about chemical compounds and data from published literature, including journals and patents. The information includes chemical compounds, chemical reactions, chemical properties, related bibliographic data, substance data with synthesis planning information, as well as experimental procedures from selected journals and patents. It is licensed by Elsevier.
Roger Kent Summit is the founder of Dialog Information Services, and has been called the father of modern online search. He worked for Lockheed in the 1960s, was put in charge of its information retrieval lab, and from his work created a system that became known as Dialog and spun off by Lockheed in the 1970s. Dialog is one of the leading professional online services, used by companies, law firms, governments etc. as a key online research tool. Many feel that Dialog led the way to the Web's search engines and search today.
The Herman Skolnik Award is awarded annually by the Division of Chemical Information of the American Chemical Society, "to recognize outstanding contributions to and achievements in the theory and practice of chemical information science". As of 2024 the award is of 3,000 US dollars.
William Joseph Wiswesser was an American chemist best known as the creator of the Wiswesser line notation (WLN), which was an innovative way to represent chemical structures in a linear string of characters suitable for computer manipulation. He is also known for the Wiswesser rule, a mathematical formula that predicts the order of atomic orbitals in many-electron atoms.
Yvonne Connolly Martin is an American cheminformatics and computer-aided drug design expert who rose to the rank of Senior Volwiler Research Fellow at Abbott Laboratories. Trained in chemistry at Northwestern University, she became a leader in collaborative science aimed at discovering and developing bioactive molecules as therapeutic agents, with her contributions proceeding from application of methods to understand how descriptors of molecular shapes and physicochemical properties relate to their biological activity. She is the author of a seminal volume in cheminformatics, Quantitative Drug Design, and has been the recipient of numerous awards in her field, including being named as a fellow of the American Association for the Advancement of Science (1985) and of the International Union of Pure and Applied Chemistry (2000), and receiving the Herman Skolnik Award (2009) and the Award for Computers in Chemical and Pharmaceutical Research (2017) from the American Chemical Society.
Johann Gasteiger is a German Chemist and a Chemoinformatician on which he wrote and edited various books.
Maria Skyllas-Kazacos FTSE is an Australian chemical engineer best known for her pioneering work of the vanadium redox battery, which she created at the University of New South Wales in the 1980s. Her design used sulfuric acid electrolytes and was patented by the university. In 1999 she was appointed a Member of the Order of Australia "for service to science and technology, particularly in the development of the vanadium redox battery as an alternative power source".
Kimito Funatsu is a Japanese chemist specializing in chemoinformatics and data-driven chemistry, a Professor Emeritus at University of Tokyo, and the research director of the Data Science Center at Nara Institute of Science and Technology.
References
- ↑ "Publications, Michael F. Lynch, Professor Emeritus". University of Sheffield: Information School. Archived from the original on 2011-07-16. Retrieved 2011-08-20.
- ↑ "Herman Skolnik Awards". American Chemical Society. Retrieved 2011-10-08.
- ↑ "9th ICCS: General Information" . Retrieved 2011-10-08.
... will be awarded the fourth CSA Trust Mike Lynch Award
- ↑ "The Michael Lynch Research Lab". University of Sheffield: Information School. Retrieved 29 January 2019.
