-
2
-
-
80053974142
-
OSCAR4: A flexible architecture for chemical text-mining
-
Jessop, D. M.; Adams, S. E.; Willighagen, S. E.; Hawizy, E. L.; P. Murray-Rust, P. OSCAR4: A flexible architecture for chemical text-mining J. Cheminf. 2011, 3, 41
-
(2011)
J. Cheminf.
, vol.3
, pp. 41
-
-
Jessop, D.M.1
Adams, S.E.2
Willighagen, S.E.3
Hawizy, E.L.4
Murray-Rust P, P.5
-
3
-
-
84963428971
-
The case for content integrity in electronic chemistry journals: The CLIC Project
-
James, D.; Whitaker, B. J.; Hildyard, C.; Rzepa, H. S.; Casher, O.; Goodman, J. M.; Riddick, D.; Murray-Rust, P. The case for content integrity in electronic chemistry journals: The CLIC Project New Rev. Inf. Networking 1995, 1, 61-69
-
(1995)
New Rev. Inf. Networking
, vol.1
, pp. 61-69
-
-
James, D.1
Whitaker, B.J.2
Hildyard, C.3
Rzepa, H.S.4
Casher, O.5
Goodman, J.M.6
Riddick, D.7
Murray-Rust, P.8
-
4
-
-
84896711529
-
Emancipate your data
-
Rzepa, H. S. Emancipate your data. Chemistry World, 2013, 09, DOI: 10042/a3uxk.
-
(2013)
Chemistry World
, vol.9
-
-
Rzepa, H.S.1
-
5
-
-
79955044712
-
A review of electronic laboratory notebooks available in the market today
-
Rubacha, M.; Rattan, A. K.; Hosselet, S. C. A review of electronic laboratory notebooks available in the market today J. Lab. Autom. 2011, 16, 90-98
-
(2011)
J. Lab. Autom.
, vol.16
, pp. 90-98
-
-
Rubacha, M.1
Rattan, A.K.2
Hosselet, S.C.3
-
6
-
-
84994682647
-
First steps towards semantic descriptions of electronic laboratory notebook records
-
Coles, S. J.; Frey, J. G.; Bird, C. L.; Whitby, R. J.; Day, A. E. First steps towards semantic descriptions of electronic laboratory notebook records J. Cheminf. 2013, 5, 52
-
(2013)
J. Cheminf.
, vol.5
, pp. 52
-
-
Coles, S.J.1
Frey, J.G.2
Bird, C.L.3
Whitby, R.J.4
Day, A.E.5
-
7
-
-
52049123819
-
SPECTRa: The deposition and validation of primary chemistry research data in digital repositories
-
Downing, J.; Murray-Rust, P.; Tonge, A. P.; Morgan, P.; Rzepa, H. S.; Cotterill, F.; Day, N.; Harvey, M. J. SPECTRa: The deposition and validation of primary chemistry research data in digital repositories J. Chem. Inf. Model. 2008, 48, 1571-1581
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 1571-1581
-
-
Downing, J.1
Murray-Rust, P.2
Tonge, A.P.3
Morgan, P.4
Rzepa, H.S.5
Cotterill, F.6
Day, N.7
Harvey, M.J.8
-
8
-
-
66249092827
-
Adventures in semantic publishing: Exemplar semantic enhancements of a research article
-
Shotton, D.; Portwin, K.; Klyne, G.; Miles, A. Adventures in semantic publishing: Exemplar semantic enhancements of a research article PLoS Comput. Biol. 2009, 5, e1000361
-
(2009)
PLoS Comput. Biol.
, vol.5
, pp. 1000361
-
-
Shotton, D.1
Portwin, K.2
Klyne, G.3
Miles, A.4
-
9
-
-
66249090009
-
Semantic publishing: The coming revolution in scientific journal publishing
-
Shotton, D. Semantic publishing: The coming revolution in scientific journal publishing Learned Publishing 2009, 22, 85-94
-
(2009)
Learned Publishing
, vol.22
, pp. 85-94
-
-
Shotton, D.1
-
10
-
-
84876718456
-
Chemical datuments as scientific enablers
-
For a summary, see Rzepa, H. S. Chemical datuments as scientific enablers J. Chemoinf. 2013, 5, 6
-
(2013)
J. Chemoinf.
, vol.5
, pp. 6
-
-
Rzepa, H.S.1
-
11
-
-
33746653921
-
Digital object identifiers for scientific data
-
Paskin, N. Digital object identifiers for scientific data Data Sci. J. 2005, 4, 12-20
-
(2005)
Data Sci. J.
, vol.4
, pp. 12-20
-
-
Paskin, N.1
-
14
-
-
84908244303
-
-
Figshare application programming interface. (accessed July 17
-
Figshare application programming interface. http://api.figshare.com/docs/intro.html (accessed July 17, 2014).
-
(2014)
-
-
-
15
-
-
84863740175
-
Scientists: Your number is up
-
Butler, D. Scientists: Your number is up Nature 2012, 485, 564
-
(2012)
Nature
, vol.485
, pp. 564
-
-
Butler, D.1
-
16
-
-
84908246839
-
-
For an example relating to one of the authors, see (accessed July 17)
-
For an example relating to one of the authors, see http://orcid.org/0000-0002-8635-8390 (accessed July 17, 2014).
-
(2014)
-
-
-
17
-
-
84864652623
-
Chempound - A Web 2.0-inspired repository for physical science data
-
Adams, S.; Murray-Rust, P. Chempound-A Web 2.0-inspired repository for physical science data J. Digital Inf. 2012, 13, 5873
-
(2012)
J. Digital Inf.
, vol.13
, pp. 5873
-
-
Adams, S.1
Murray-Rust, P.2
-
18
-
-
84908236445
-
-
Figshare. (accessed July 17)
-
Figshare. http://api.figshare.com/docs/intro.html (accessed July 17, 2014).
-
(2014)
-
-
-
19
-
-
84908253277
-
-
DateCite. (accessed July 17)
-
DateCite. http://www.datacite.org/ (accessed July 17, 2014).
-
(2014)
-
-
-
20
-
-
84908224067
-
-
See http://www.nature.com/sdata/, where a data descriptor is defined as "a primary article-type, the Data Descriptor...designed to make your data more discoverable, interpretable and reusable.".
-
-
-
-
21
-
-
33645719523
-
A framework for distributed digital object services
-
specifically http://www.handle.net/overviews/handle-type-10320-loc.html and http://www.handle.net/overviews/handle-type-10320-loc.html#conneg (accessed July 17, 2014). - 123
-
Kahn, R.; Wilensky, R. A framework for distributed digital object services. Int. J. Digital Libraries, 2006, 6, 115-123. http://www.handle.net/documentation.html, specifically http://www.handle.net/overviews/handle-type-10320-loc.html and http://www.handle.net/overviews/handle-type-10320-loc.html#conneg (accessed July 17, 2014).
-
(2006)
Int. J. Digital Libraries
, vol.6
, pp. 115
-
-
Kahn, R.1
Wilensky, R.2
-
22
-
-
0000532520
-
The application of chemical multipurpose internet mail extensions (Chemical MIME) internet standards to electronic mail and World-Wide Web information exchange
-
Rzepa, H. S.; Murray-Rust, P.; Whitaker, B. J. The application of chemical multipurpose internet mail extensions (Chemical MIME) internet standards to electronic mail and World-Wide Web information exchange J. Chem. Inf. Comp. Sci. 1998, 38, 976-982
-
(1998)
J. Chem. Inf. Comp. Sci.
, vol.38
, pp. 976-982
-
-
Rzepa, H.S.1
Murray-Rust, P.2
Whitaker, B.J.3
-
23
-
-
84908247807
-
Activated data in chemistry publications, 2006-2013
-
Rzepa, H. S. Activated data in chemistry publications, 2006-2013. Figshare. 2014, DOI: rnp (accessed July 17, 2014).
-
(2014)
Figshare
-
-
Rzepa, H.S.1
-
24
-
-
84876239078
-
JSmol and the next-generation Web-based representation of 3D molecular structure as applied to proteopedia
-
Hanson, R. M.; Prilusky, J.; Zhou, R.; Nakane, T.; Sussman, J. JSmol and the next-generation Web-based representation of 3D molecular structure as applied to proteopedia Isr. J. Chem. 2013, 53, 207-256
-
(2013)
Isr. J. Chem.
, vol.53
, pp. 207-256
-
-
Hanson, R.M.1
Prilusky, J.2
Zhou, R.3
Nakane, T.4
Sussman, J.5
-
25
-
-
84908228271
-
KCite Plugin
-
(accessed July 17, 2014)
-
Cockell, S.; Lord, P. KCite Plugin. Knowledge Blog, 2011. http://knowledgeblog.org/kcite-plugin (accessed July 17, 2014).
-
(2011)
Knowledge Blog
-
-
Cockell, S.1
Lord, P.2
-
26
-
-
84908254523
-
Intersecting Paths in Molecular Energy Surfaces
-
Rzepa, H. S. Intersecting Paths in Molecular Energy Surfaces. Chemistry with a Twist (Blog), 2014. DOI: 10042/a3uzb (accessed July 17, 2014).
-
(2014)
Chemistry with A Twist (Blog)
-
-
Rzepa, H.S.1
-
27
-
-
84908249526
-
-
and http://swordapp.org/sword-v2/sword-v2-specifications (accessed September 8, 2014)
-
SWORD Specifications. http://swordapp.org/sword-v1/the-specification/ and http://swordapp.org/sword-v2/sword-v2-specifications (accessed September 8, 2014).
-
SWORD Specifications
-
-
-
28
-
-
84908248044
-
The vinylcarbene-cyclopropene equilibrium of silicon: An isolable disilenyl silylene
-
Scheschkewitz, D.; MCowley, M. J.; Huch, V.; Rzepa, H. S. The vinylcarbene-cyclopropene equilibrium of silicon: An isolable disilenyl silylene Nature Chem. 2013, 5, 876-879
-
(2013)
Nature Chem.
, vol.5
, pp. 876-879
-
-
Scheschkewitz, D.1
McOwley, M.J.2
Huch, V.3
Rzepa, H.S.4
-
29
-
-
84890232045
-
Mechanistic and chiroptical studies on the desulfurization of epidithiodioxopiperazines reveal universal retention of configuration at the bridgehead carbon atoms
-
Cherblanc, F. L.; Lo, Y.-P.; Herrebout, W. A.; Bultinck, P.; Rzepa, H. S.; Fuchter, M. J. Mechanistic and chiroptical studies on the desulfurization of epidithiodioxopiperazines reveal universal retention of configuration at the bridgehead carbon atoms J. Org. Chem. 2013, 78, 11646-11655
-
(2013)
J. Org. Chem.
, vol.78
, pp. 11646-11655
-
-
Cherblanc, F.L.1
Lo, Y.-P.2
Herrebout, W.A.3
Bultinck, P.4
Rzepa, H.S.5
Fuchter, M.J.6
-
30
-
-
84887060771
-
Epoxidation of bromoallenes connects red algae metabolites by an intersecting bromoallene oxide-Favorskii manifold
-
Braddock, D. C.; Clarke, J.; Rzepa, H. S. Epoxidation of bromoallenes connects red algae metabolites by an intersecting bromoallene oxide-Favorskii manifold Chem. Commun. 2013, 49, 11176-11178
-
(2013)
Chem. Commun.
, vol.49
, pp. 11176-11178
-
-
Braddock, D.C.1
Clarke, J.2
Rzepa, H.S.3
-
31
-
-
84898065167
-
The Houk-List transition states for organocatalytic mechanisms revisited
-
Armstrong, A.; Boto, R. A.; Dingwall, P.; Contreras-Garcia, J.; Harvey, M. J.; Mason, N. J.; Rzepa, H. S. The Houk-List transition states for organocatalytic mechanisms revisited Chem. Sci. 2014, 5, 2057-2071
-
(2014)
Chem. Sci.
, vol.5
, pp. 2057-2071
-
-
Armstrong, A.1
Boto, R.A.2
Dingwall, P.3
Contreras-Garcia, J.4
Harvey, M.J.5
Mason, N.J.6
Rzepa, H.S.7
-
32
-
-
84903759030
-
N-Heterocyclic carbene or phosphine-containing copper(i) complexes for the synthesis of 5-iodo-1,2,3-triazoles: Catalytic and mechanistic studies
-
La, S.; Rzepa, H. S.; Diez-González, S. N-Heterocyclic carbene or phosphine-containing copper(i) complexes for the synthesis of 5-iodo-1,2,3-triazoles: Catalytic and mechanistic studies ACS Catal. 2014, 4, 2274-2287
-
(2014)
ACS Catal.
, vol.4
, pp. 2274-2287
-
-
La, S.1
Rzepa, H.S.2
Diez-González, S.3
-
33
-
-
84908228511
-
Table 1: The vinylcarbene-cyclopropene equilibrium of silicon: An isolable disilenyl silylene
-
rng (accessed September 10, 2014)
-
Scheschkewitz, D.; Cowley, M. J.; Huch, V.; Rzepa, H. S. Table 1: The vinylcarbene-cyclopropene equilibrium of silicon: An isolable disilenyl silylene. Figshare. 2014, rng (accessed September 10, 2014).
-
(2014)
Figshare
-
-
Scheschkewitz, D.1
Cowley, M.J.2
Huch, V.3
Rzepa, H.S.4
-
34
-
-
84908256208
-
Mechanistic and chiroptical studies on the desulfurization of epidithiodioxopiperazines reveal universal retention of configuration at the bridgehead carbon atoms
-
rns (accessed 2014)
-
Cherblanc, F. L.; Lo, Y.-P.; Herrebout, W. A.; Bultinck, P.; Rzepa, H. S.; Fuchter, M. J. Mechanistic and chiroptical studies on the desulfurization of epidithiodioxopiperazines reveal universal retention of configuration at the bridgehead carbon atoms. Figshare. 2014, rns (accessed 2014).
-
(2014)
Figshare
-
-
Cherblanc, F.L.1
Lo, Y.-P.2
Herrebout, W.A.3
Bultinck, P.4
Rzepa, H.S.5
Fuchter, M.J.6
-
35
-
-
84908234756
-
Interactivity box. Epoxidation of bromoallenes connects red algae metabolites by an intersecting allene oxide-Favorskii manifold
-
Braddock, D. C.; Clarke, J. H. S. Interactivity box. Epoxidation of bromoallenes connects red algae metabolites by an intersecting allene oxide-Favorskii manifold. Figshare. 2013, DOI: n6q and n6r (accessed September 10, 2014).
-
(2013)
Figshare
-
-
Braddock, D.C.1
Clarke, J.H.S.2
-
36
-
-
84908248078
-
Table 3: Calculated transition state properties for R=Ph (scheme 2)
-
Armstrong, A.; Boto, R. A.; Dingwall, P.; Contreras-Garcia, J.; Harvey, M. J.; Mason, N. J.; Rzepa, H. S. Table 3: Calculated transition state properties for R=Ph (scheme 2). Figshare. 2014, DOI: qcc (accessed September 10, 2014).
-
(2014)
Figshare
-
-
Armstrong, A.1
Boto, R.A.2
Dingwall, P.3
Contreras-Garcia, J.4
Harvey, M.J.5
Mason, N.J.6
Rzepa, H.S.7
-
37
-
-
84908234678
-
N-Heterocyclic carbene or phosphine-containing copper(I) complexes for the synthesis of 5-iodo-1,2,3-triazoles: Catalytic and mechanistic studies
-
rnt, rfk, rfm (accessed September 10, 2014)
-
La, S.; Rzepa, H. S.; Diez-González, S. N-Heterocyclic carbene or phosphine-containing copper(I) complexes for the synthesis of 5-iodo-1,2,3-triazoles: Catalytic and mechanistic studies. Figshare. 2014, rnt, rfk, rfm (accessed September 10, 2014).
-
(2014)
Figshare
-
-
La, S.1
Rzepa, H.S.2
Diez-González, S.3
-
38
-
-
84876725194
-
InChI - The worldwide chemical structure identifier standard
-
Heller, S.; McNaught, A.; Stein, S.; Tchekhovskoi, D.; Pletnev, I. InChI-The worldwide chemical structure identifier standard J. Cheminf. 2013, 5, 7
-
(2013)
J. Cheminf.
, vol.5
, pp. 7
-
-
Heller, S.1
McNaught, A.2
Stein, S.3
Tchekhovskoi, D.4
Pletnev, I.5
-
39
-
-
84908254788
-
-
ImpactStory. (accessed July 17)
-
ImpactStory. www.impactstory.org/rzepa/ (accessed July 17, 2014).
-
(2014)
-
-
-
40
-
-
84908246070
-
-
Henry S. Rzepa. (accessed July 17)
-
Henry S. Rzepa. http://scholar.google.co.uk/citations?user=ljZtPwkAAAAJ&hl=en&oi=ao&cstart=304 (accessed July 17, 2014).
-
(2014)
-
-
-
41
-
-
84892994562
-
How sugars pucker: Electronic structure calculations map the kinetic landscape of five biologically paramount monosaccharides and their implications for enzymatic catalysis
-
Mayes, H. B.; Broadbelt, L. J.; Beckham, G. T. How sugars pucker: Electronic structure calculations map the kinetic landscape of five biologically paramount monosaccharides and their implications for enzymatic catalysis J. Am. Chem. Soc. 2013, 136, 1008-1022
-
(2013)
J. Am. Chem. Soc.
, vol.136
, pp. 1008-1022
-
-
Mayes, H.B.1
Broadbelt, L.J.2
Beckham, G.T.3
-
42
-
-
84908261335
-
-
Joint Declaration of Data Citation Principles. (accessed March)
-
Crosas, M.; Carpenter, T.; Shotton, D.; Borgman, C. Joint Declaration of Data Citation Principles. http://www.force11.org/AmsterdamManifesto (accessed March 2013).
-
(2013)
-
-
Crosas, M.1
Carpenter, T.2
Shotton, D.3
Borgman, C.4
-
43
-
-
84908253373
-
-
ternational Digital Publishing Forum. A distribution and interchange format standard for digital publications and documents. (accessed September 8, 2014)
-
International Digital Publishing Forum. A distribution and interchange format standard for digital publications and documents. http://idpf.org/epub/30 (accessed September 8, 2014).
-
-
-
-
44
-
-
84908231373
-
-
245th ACS National Meeting and Exposition, New Orleans, LA, United States, April 7-11, 2013, CINF-95. (accessed September 8, 2014)
-
Tkachenko, V.; Batchelor, C.; Karapetyan, K.; Sharpe, D.; Williams, A. J. ChemSpider reactions: Delivering a free community resource of chemical syntheses, Abstracts of Papers, 245th ACS National Meeting and Exposition, New Orleans, LA, United States, April 7-11, 2013, CINF-95. http://cssp.chemspider.com (accessed September 8, 2014).
-
ChemSpider Reactions: Delivering A Free Community Resource of Chemical Syntheses, Abstracts of Papers
-
-
Tkachenko, V.1
Batchelor, C.2
Karapetyan, K.3
Sharpe, D.4
Williams, A.J.5
-
45
-
-
84867449920
-
Microattribution and nanopublication as means to incentivize the placement of human genome variation data into the public domain
-
(accessed September 10, 2014).
-
Patrinos, G. P.; Cooper, D. N.; van Mulligen, E.; Gkantouna, V.; Tzimas, G.; Tatum, Z.; Schultes, E.; Roos, M.; Mons, B. Microattribution and nanopublication as means to incentivize the placement of human genome variation data into the public domain. Hum. Mutat. 2012, 33, 1503-12 and http://nanopub.org/wordpress (accessed September 10, 2014).
-
(2012)
Hum. Mutat.
, vol.33
, pp. 1503-1512
-
-
Patrinos, G.P.1
Cooper, D.N.2
Van Mulligen, E.3
Gkantouna, V.4
Tzimas, G.5
Tatum, Z.6
Schultes, E.7
Roos, M.8
Mons, B.9
|