Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Bolton EV"'
Publikováno v:
Chemistry Teacher International, Vol 3, Iss 1, Pp 57-65 (2020)
PubChem (https://pubchem.ncbi.nlm.nih.gov) is one of the top five most visited chemistry web sites in the world, with more than five million unique users per month (as of March 2020). Many of these users are educators, undergraduate students, and gra
Externí odkaz:
https://doaj.org/article/747ac6e45f7a4b7f9d75ad3c295b697b
Publikováno v:
Journal of Cheminformatics, Vol 5, Iss 1, p 1 (2013)
Abstract Background PubChem is a free and publicly available resource containing substance descriptions and their associated biological activity information. PubChem3D is an extension to PubChem containing computationally-derived three-dimensional (3
Externí odkaz:
https://doaj.org/article/b5111ecaea8241259801756773061488
Publikováno v:
Journal of Cheminformatics, Vol 4, Iss 1, p 28 (2012)
Abstract Background To improve the utility of PubChem, a public repository containing biological activities of small molecules, the PubChem3D project adds computationally-derived three-dimensional (3-D) descriptions to the small-molecule records cont
Externí odkaz:
https://doaj.org/article/3e6ed54f0993450e8a0cb3543ae1fab0
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 52 (2011)
Abstract Background A significant portion of the biomedical and chemical literature refers to small molecules. The accurate identification and annotation of compound name that are relevant to the topic of the given literature can establish links betw
Externí odkaz:
https://doaj.org/article/65617b480a554b4b8c7a4078761ba895
Autor:
Bolton Evan E, Chen Jie, Kim Sunghwan, Han Lianyi, He Siqian, Shi Wenyao, Simonyan Vahan, Sun Yan, Thiessen Paul A, Wang Jiyao, Yu Bo, Zhang Jian, Bryant Stephen H
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 32 (2011)
Abstract Background PubChem is an open repository for small molecules and their experimental biological activity. PubChem integrates and provides search, retrieval, visualization, analysis, and programmatic access tools in an effort to maximize the u
Externí odkaz:
https://doaj.org/article/d7187b96a1b64e3b842975826f3023fe
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 26 (2011)
Abstract Background The use of 3-D similarity techniques in the analysis of biological data and virtual screening is pervasive, but what is a biologically meaningful 3-D similarity value? Can one find statistically significant separation between "act
Externí odkaz:
https://doaj.org/article/0e587b3f1e804fd9a416df9bd338ddd1
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 25 (2011)
Abstract Background PubChem provides a 3-D neighboring relationship, which involves finding the maximal shape overlap between two static compound 3-D conformations, a computationally intensive step. It is highly desirable to avoid this overlap comput
Externí odkaz:
https://doaj.org/article/4826c236119741fa82f6caa5025bcf9c
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 13 (2011)
Abstract Background PubChem is a free and open public resource for the biological activities of small molecules. With many tens of millions of both chemical structures and biological test results, PubChem is a sizeable system with an uneven degree of
Externí odkaz:
https://doaj.org/article/34aa6d27adfd4cec91f8259792372011
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 9 (2011)
Abstract Background The shape diversity of 16.4 million biologically relevant molecules from the PubChem Compound database and their 1.46 billion diverse conformers was explored as a function of molecular volume. Results The diversity of shape space
Externí odkaz:
https://doaj.org/article/5885cf9aba834255bfd557c5ca05e41f
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 4 (2011)
Abstract Background PubChem, an open archive for the biological activities of small molecules, provides search and analysis tools to assist users in locating desired information. Many of these tools focus on the notion of chemical structure similarit
Externí odkaz:
https://doaj.org/article/c1f8aa89316e487cb1c01cf317bd1bed