Zobrazeno 1 - 10
of 98
pro vyhledávání: '"John D. Holliday"'
Publikováno v:
International Journal of Electrical Power & Energy Systems. 99:290-298
Knowledge of the currents is a key foundation for smart grid applications. However, knowledge of low voltage currents is generally poor. The new information streams from advanced metering infrastructure (AMI)/smart meters and the monitoring of distri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4199c22641c40b324304b605fc9028c
https://doi.org/10.1016/j.ijepes.2018.01.023
https://doi.org/10.1016/j.ijepes.2018.01.023
Publikováno v:
Molecular Informatics. 34:598-607
This paper summarises work in chemoinformatics carried out in the Information School of the University of Sheffield during the period 2002-2014. Research studies are described on fingerprint-based similarity searching, data fusion, applications of re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8274735054f0c93d72f09eee73c6b69b
https://doi.org/10.1002/minf.201500004
https://doi.org/10.1002/minf.201500004
Publikováno v:
Journal of Chemical Information and Modeling. 55:222-230
Data fusion has been shown to work very well when applied to fingerprint-based similarity searching, yet little is known of its application to maximum common substructure (MCS)-based similarity searching. Two similarity search applications of the MCS
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e0a1d91757ca4b6287d38e38ac025f94
https://doi.org/10.1021/ci5005702
https://doi.org/10.1021/ci5005702
Publikováno v:
ChemMedChem. 13(6)
The identification of the largest substructure in common when two (or more) molecules are overlaid is important for several applications in chemoinformatics, and can be implemented using a maximum common subgraph (MCS) algorithm. Many such algorithms
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2704cc1ea4f6d3a22c1abb3e1c05ae6
https://pubmed.ncbi.nlm.nih.gov/29057611
https://pubmed.ncbi.nlm.nih.gov/29057611
The large costs associated with modern drug discovery mean that governments and regulatory bodies need to provide economic incentives to promote the development of orphan drugs (i.e., medicinal products that are designed to treat rare disease that af
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3fe187cba49aa95b9023a518c91b1878
Publikováno v:
Current Challenges in Patent Information Retrieval ISBN: 9783662538166
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::82dfd86ac23a75da70614acbc3667a46
https://doi.org/10.1007/978-3-662-53817-3_15
https://doi.org/10.1007/978-3-662-53817-3_15
Publikováno v:
Journal of Information Science. 39:7-14
Many different similarity measures have been described for searching chemical databases. Drawing on previous work in textual information retrieval, this paper investigates the numbers of queries that are required to make robust statements as to the r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e4565495109b745e14d575ae028471f3
https://doi.org/10.1177/0165551512470042
https://doi.org/10.1177/0165551512470042
Publikováno v:
Bioorganic & Medicinal Chemistry. 20:5366-5371
Consensus clustering involves combining multiple clusterings of the same set of objects to achieve a single clustering that will, hopefully, provide a better picture of the groupings that are present in a dataset. This Letter reports the use of conse
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea69887b386f40a7137cdb81020ce401
https://doi.org/10.1016/j.bmc.2012.03.010
https://doi.org/10.1016/j.bmc.2012.03.010
Publikováno v:
International Journal of Chemoinformatics and Chemical Engineering. 2:28-41
Similarity searching is one of the most common methods for ligand-based virtual screening, and is normally carried out using the Tanimoto coefficient with binary fingerprints. However, a recent study has suggested that it may be less appropriate for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::752951db225b5c8d6b7e747c371bb09a
https://doi.org/10.4018/ijcce.2012070103
https://doi.org/10.4018/ijcce.2012070103
Publikováno v:
Future Medicinal Chemistry. 3:405-414
Background: It has been suggested that similarity searching using 2D fingerprints may not be suitable for scaffold hopping. Methods: This article reports a detailed evaluation of the effectiveness of six common types of 2D fingerprints when they are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2f0f817202d3d8121b35d2b3f9a8e7a
https://doi.org/10.4155/fmc.11.4
https://doi.org/10.4155/fmc.11.4