InChI version 1.06: now more than 99.99% reliable

Autor: Jonathan M. Goodman, Igor Pletnev, Paul Thiessen, Evan Bolton, Stephen R. Heller

Publikováno v: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-8 (2021)

Abstract The software for the IUPAC Chemical Identifier, InChI, is extraordinarily reliable. It has been tested on large databases around the world, and has proved itself to be an essential tool in the handling and integration of large chemical datab

Externí odkaz: https://doaj.org/article/05e85a7425aa491d9d31e08df2907068

BioHackathon 2015: Semantics of data for life sciences and reproducible research [version 1; peer review: 2 approved]

Autor: Rutger A. Vos, Toshiaki Katayama, Hiroyuki Mishima, Shin Kawano, Shuichi Kawashima, Jin-Dong Kim, Yuki Moriya, Toshiaki Tokimatsu, Atsuko Yamaguchi, Yasunori Yamamoto, Hongyan Wu, Peter Amstutz, Erick Antezana, Nobuyuki P. Aoki, Kazuharu Arakawa, Jerven T. Bolleman, Evan Bolton, Raoul J. P. Bonnal, Hidemasa Bono, Kees Burger, Hirokazu Chiba, Kevin B. Cohen, Eric W. Deutsch, Jesualdo T. Fernández-Breis, Gang Fu, Takatomo Fujisawa, Atsushi Fukushima, Alexander García, Naohisa Goto, Tudor Groza, Colin Hercus, Robert Hoehndorf, Kotone Itaya, Nick Juty, Takeshi Kawashima, Jee-Hyub Kim, Akira R. Kinjo, Masaaki Kotera, Kouji Kozaki, Sadahiro Kumagai, Tatsuya Kushida, Thomas Lütteke, Masaaki Matsubara, Joe Miyamoto, Attayeb Mohsen, Hiroshi Mori, Yuki Naito, Takeru Nakazato, Jeremy Nguyen-Xuan, Kozo Nishida, Naoki Nishida, Hiroyo Nishide, Soichi Ogishima, Tazro Ohta, Shujiro Okuda, Benedict Paten, Jean-Luc Perret, Philip Prathipati, Pjotr Prins, Núria Queralt-Rosinach, Daisuke Shinmachi, Shinya Suzuki, Tsuyosi Tabata, Terue Takatsuki, Kieron Taylor, Mark Thompson, Ikuo Uchiyama, Bruno Vieira, Chih-Hsuan Wei, Mark Wilkinson, Issaku Yamada, Ryota Yamanaka, Kazutoshi Yoshitake, Akiyasu C. Yoshizawa, Michel Dumontier, Kenjiro Kosaki, Toshihisa Takagi

Publikováno v: F1000Research, Vol 9 (2020)

We report on the activities of the 2015 edition of the BioHackathon, an annual event that brings together researchers and developers from around the world to develop tools and technologies that promote the reusability of biological data. We discuss i

Externí odkaz: https://doaj.org/article/6d102248ecd24affbea7a5223da6573a

CTO: a Community-Based Clinical Trial Ontology and its Applications in PubChemRDF and SCAIView

Autor: Asiyah Yu, Lin, Stephan, Gebel, Qingliang Leon, Li, Sumit, Madan, Johannes, Darms, Evan, Bolton, Barry, Smith, Martin, Hofmann-Apitius, Yongqun Oliver, He, Alpha Tom, Kodamullil

Publikováno v: CEUR workshop proceedings. 2807

Driven by the use cases of PubChemRDF and SCAIView, we have developed a first community-based clinical trial ontology (CTO) by following the OBO Foundry principles. CTO uses the Basic Formal Ontology (BFO) as the top level ontology and reuses many te

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::33901a90456b4d8db37a27bfe1c37526
https://pubmed.ncbi.nlm.nih.gov/35992013

InChI Version 1.06: Now More Than 99.99 % Reliable

Autor: Evan Bolton, Jonathan M Goodman, Stephen R Heller, Igor Pletnev, Paul Thiessen

The software for the IUPAC Chemical Identifier, InChI, is extraordinarily reliable. It has been tested on large databases around the world, and has proved itself to be an essential tool in the handling and integration of large chemical databases. InC

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6a25a2d3421a4a689d7ab16da483fb34
https://doi.org/10.21203/rs.3.rs-378701/v1

Toxicological information in PubChem

Autor: Paul Thiessen, Pertti Hakkinen, Sunghwan Kim, Asta Gindulyte, Jian Zhang, Evan Bolton

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2fc3f05f71baaf6b06a719e58dd01ba6
https://doi.org/10.1021/scimeetings.0c07033