Zobrazeno 1 - 10
of 91
pro vyhledávání: '"Evan E, Bolton"'
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-22 (2024)
Abstract PubChem ( https://pubchem.ncbi.nlm.nih.gov ) is a public chemical information resource containing more than 100 million unique chemical structures. One of the most requested tasks in PubChem and other chemical databases is to search chemical
Externí odkaz:
https://doaj.org/article/7114178bfe8a4ee48adb958256877300
Autor:
Antanas Vaitkus, Andrius Merkys, Thomas Sander, Miguel Quirós, Paul A. Thiessen, Evan E. Bolton, Saulius Gražulis
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-15 (2023)
Abstract Knowledge about the 3-dimensional structure, orientation and interaction of chemical compounds is important in many areas of science and technology. X-ray crystallography is one of the experimental techniques capable of providing a large amo
Externí odkaz:
https://doaj.org/article/5b4f5ffb853145268e821356880e0fa4
Autor:
Evan E. Bolton, Haralambos Sarimveis, Egon L. Willighagen, Hervé Ménager, Susanna-Assunta Sansone, Nina Jeliazkova, Antony J. Williams, Sirarat Sarntivijai, Emma L. Schymanski, Rob Stierum, Karel Berka, Pascal Kahlem, Jos Bessems, Pavel Babica, Montserrat Cases, Ludek Blaha, Hristo Aladjov, Reza Aalizadeh, Karine Audouze, Kasia Arturi, Alasdair Gray, Roland Grafström, Daan P. Geerke, Henner Hollert, Ola Spjuth, John M. Hancock, Kirtan Dave, Dimitrios Ε. Damalas, Thomas Exner, Marco Dilger, Boï Kone, Todor Kondic, Uko Maran, Steffen Neumann, Iseult Lynch, Fabien Jourdan, Philippe Rocca-Serra, Ferran Sanz, Danyel Jennen, Jos Kleinjans, Jana Klanova, Reza M. Salek, Sylvie Remy, Tobias Schulze, Brett Sallach, Penny Nymark, Sergio Martinez Cuesta, Noelia Ramirez, Herbert Oberacher, Craig E. Wheelock, Gerard J.P. van Westen, Barbara Zdrazil, Hilda Witters, Jonathan Tedds, Marvin Martens, Jaroslav Slobodnik, Ralf J.M. Weber, Nikolaos Thomaidis, Anže Županič, Chris T. Evelo
Publikováno v:
F1000Research, Vol 10 (2023)
Toxicology has been an active research field for many decades, with academic, industrial and government involvement. Modern omics and computational approaches are changing the field, from merely disease-specific observational models into target-speci
Externí odkaz:
https://doaj.org/article/e59322df245a4fc28be0854e2252ef78
Autor:
Emma L. Schymanski, Todor Kondić, Steffen Neumann, Paul A. Thiessen, Jian Zhang, Evan E. Bolton
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-15 (2021)
Abstract Compound (or chemical) databases are an invaluable resource for many scientific disciplines. Exposomics researchers need to find and identify relevant chemicals that cover the entirety of potential (chemical and other) exposures over entire
Externí odkaz:
https://doaj.org/article/858482e9019a4de287d29a0488fb88db
Autor:
Emma L. Schymanski, Evan E. Bolton
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-3 (2021)
Abstract The ability to access chemical information openly is an essential part of many scientific disciplines. The Journal of Cheminformatics is leading the way for rigorous, open cheminformatics in many ways, but there remains room for improvement
Externí odkaz:
https://doaj.org/article/a9a29a59baec4613b87a764d984a3174
Autor:
Jessy Krier, Randolph R. Singh, Todor Kondić, Adelene Lai, Philippe Diderich, Jian Zhang, Paul A. Thiessen, Evan E. Bolton, Emma L. Schymanski
Publikováno v:
Environment International, Vol 158, Iss , Pp 106885- (2022)
The diversity of hundreds of thousands of potential organic pollutants and the lack of (publicly available) information about many of them is a huge challenge for environmental sciences, engineering, and regulation. Suspect screening based on high-re
Externí odkaz:
https://doaj.org/article/4babd5a857a144228fa0c35aaaf687ec
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-11 (2019)
Abstract PubChem is a chemical data repository that provides comprehensive information on various chemical entities. It contains a wealth of chemical information from hundreds of data sources. Programmatic access to this large amount of data provides
Externí odkaz:
https://doaj.org/article/714313a310d84ffdba872260e76eb61d
Autor:
Leonid Zaslavsky, Tiejun Cheng, Asta Gindulyte, Siqian He, Sunghwan Kim, Qingliang Li, Paul Thiessen, Bo Yu, Evan E. Bolton
Publikováno v:
Frontiers in Research Metrics and Analytics, Vol 6 (2021)
The literature knowledge panels developed and implemented in PubChem are described. These help to uncover and summarize important relationships between chemicals, genes, proteins, and diseases by analyzing co-occurrences of terms in biomedical litera
Externí odkaz:
https://doaj.org/article/1f9a96b6676943388f8708737b828f47
Publikováno v:
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-40 (2018)
Abstract Background PubChem is a chemical information repository, consisting of three primary databases: Substance, Compound, and BioAssay. When individual data contributors submit chemical substance descriptions to Substance, the unique chemical str
Externí odkaz:
https://doaj.org/article/22ad18a5ff6f478e8b0f14e3c88a2e7f
Autor:
Tiejun Cheng, Tamiko Ono, Masaaki Shiota, Issaku Yamada, Kiyoko F Aoki-Kinoshita, Evan E Bolton
Publikováno v:
Glycobiology.
The GlyCosmos Glycoscience Portal (https://glycosmos.org) and PubChem (https://pubchem.ncbi.nlm.nih.gov/) are major portals for glycoscience and chemistry, respectively. GlyCosmos is a portal for glycan-related repositories, including GlyTouCan, Glyc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b505a5ee91983f82a47d2f4135714bf4
https://doi.org/10.1093/glycob/cwad028
https://doi.org/10.1093/glycob/cwad028