-
1
-
-
32444441664
-
Mining chemical structural information from the drug literature
-
DOI 10.1016/S1359-6446(05)03682-2, PII S1359644605036822
-
Banville, D. L. Mining chemical structural information from the drug literature Drug Discovery Today 2006, 11, 35-42 (Pubitemid 43227850)
-
(2006)
Drug Discovery Today
, vol.11
, Issue.1-2
, pp. 35-42
-
-
Banville, D.L.1
-
2
-
-
9144232525
-
Experimental data checker: Better information for organic chemists
-
Adams, S. E.; Goodman, J. M.; Kidd, R. J.; McNaught, A. D.; Murray-Rust, P.; Norton, F. R.; Townsend, J. A.; Waudby, C. A. Experimental data checker: Better information for organic chemists Org. Biomol. Chem. 2004, 2, 3067
-
(2004)
Org. Biomol. Chem.
, vol.2
, pp. 3067
-
-
Adams, S.E.1
Goodman, J.M.2
Kidd, R.J.3
McNaught, A.D.4
Murray-Rust, P.5
Norton, F.R.6
Townsend, J.A.7
Waudby, C.A.8
-
3
-
-
10244246688
-
Chemical documents: Machine understanding and automated information extraction
-
Townsend, J. A.; Adams, S. E.; Waudby, C. A.; de Souza, V. K.; Goodman, J. M.; Murray-Rust, P. Chemical documents: Machine understanding and automated information extraction Org. Biomol. Chem. 2004, 2, 3294
-
(2004)
Org. Biomol. Chem.
, vol.2
, pp. 3294
-
-
Townsend, J.A.1
Adams, S.E.2
Waudby, C.A.3
De Souza, V.K.4
Goodman, J.M.5
Murray-Rust, P.6
-
4
-
-
79953207251
-
-
(accessed January 12).
-
Copestake, A.; Teufel, S.; Rupp, C.; Siddharthan, A.; Waldron, B.; Murray-Rust, P.; Corbett, P.; Parker, A.; Hayes, M. SciBorg. http://www.cl.cam.ac.uk/research/nl/sciborg/www/ (accessed January 12, 2011).
-
(2011)
SciBorg.
-
-
Copestake, A.1
Teufel, S.2
Rupp, C.3
Siddharthan, A.4
Waldron, B.5
Murray-Rust, P.6
Corbett, P.7
Parker, A.8
Hayes, M.9
-
5
-
-
33750289875
-
High-throughput identification of chemistry in life science texts
-
Computational Life Sciences II - Second International Symposium, CompLife 2006, Proceedings
-
Corbett, P.; Murray-Rust, P. High-throughput identification of chemistry in life science texts Lect. Notes Comput. Sci. 2006, 4216, 107-118 (Pubitemid 44617781)
-
(2006)
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
, vol.4216
, pp. 107-118
-
-
Corbett, P.1
Murray-Rust, P.2
-
8
-
-
79953183891
-
-
IUPAC.. (accessed January 12).
-
IUPAC. Draft Nomenclature of Organic Chemistry. http://old.iupac.org/ reports/provisional/abstract04/favre-310305.html (accessed January 12, 2011).
-
(2011)
Draft Nomenclature of Organic Chemistry
-
-
-
10
-
-
11344273076
-
An algorithm for translating chemical names to molecular formulas
-
Garfield, E. An algorithm for translating chemical names to molecular formulas J. Chem. Doc. 1962, 2, 177-179
-
(1962)
J. Chem. Doc.
, vol.2
, pp. 177-179
-
-
Garfield, E.1
-
11
-
-
79953184205
-
-
ACD/Labs: Toronto, Canada.
-
ACD/Name; ACD/Labs: Toronto, Canada.
-
ACD/Name
-
-
-
12
-
-
79953203851
-
-
Bio-Rad Laboratories: Hercules, CA.
-
IUPAC DrawIt; Bio-Rad Laboratories: Hercules, CA.
-
IUPAC DrawIt
-
-
-
13
-
-
79953164876
-
-
CambridgeSoft: Cambridge, MA.
-
Struct=Name; CambridgeSoft: Cambridge, MA.
-
Struct=Name
-
-
-
14
-
-
79953213582
-
-
ChemAxon: Budapest, Hungary.
-
Name to Structure; ChemAxon: Budapest, Hungary.
-
Name to Structure
-
-
-
15
-
-
79953172487
-
-
ChemInnovation Software: San Diego, CA.
-
NameExpert; ChemInnovation Software: San Diego, CA.
-
NameExpert
-
-
-
16
-
-
79953213582
-
-
InfoChem: Munich, Germany.
-
Name to Structure; InfoChem: Munich, Germany.
-
Name to Structure
-
-
-
17
-
-
79953214848
-
-
OpenEye Scientific Software: Santa Fe, NM.
-
Lexichem ToolKit; OpenEye Scientific Software: Santa Fe, NM.
-
Lexichem ToolKit
-
-
-
18
-
-
0043223619
-
Name=Struct: A Practical Approach to the Sorry State of Real-Life Chemical Nomenclature
-
Brecher, J. Name=Struct: A practical approach to the sorry state of real-life chemical nomenclature J. Chem. Inf. Comput. Sci. 1999, 39, 943-950 (Pubitemid 129579827)
-
(1999)
Journal of Chemical Information and Computer Sciences
, vol.39
, Issue.6
, pp. 943-950
-
-
Brecher, J.1
-
19
-
-
0004449398
-
Three models for the description of language
-
Chomsky, N. Three models for the description of language IRE Trans. Inf. Theory 1956, 2, 113-124
-
(1956)
IRE Trans. Inf. Theory
, vol.2
, pp. 113-124
-
-
Chomsky, N.1
-
20
-
-
38549127678
-
ChEBI: A database and ontology for chemical entities of biological interest
-
Degtyarenko, K.; Matos, P.; de; Ennis, M.; Hastings, J.; Zbinden, M.; McNaught, A.; Alcantara, R.; Darsow, M.; Guedj, M.; Ashburner, M. ChEBI: A database and ontology for chemical entities of biological interest Nucleic Acids Res. 2008, 36, D344-350
-
(2008)
Nucleic Acids Res.
, vol.36
, pp. 344-350
-
-
Degtyarenko, K.1
Matos, P.2
De Ennis, M.3
Hastings, J.4
Zbinden, M.5
McNaught, A.6
Alcantara, R.7
Darsow, M.8
Guedj, M.9
Ashburner, M.10
-
22
-
-
0024666302
-
Computer translation of IUPAC systematic organic chemical nomenclature. 1. Introduction and background to a grammar-based approach
-
Cooke-Fox, D. I.; Kirby, G. H.; Rayner, J. D. Computer translation of IUPAC systematic organic chemical nomenclature. 1. Introduction and background to a grammar-based approach J. Chem. Inf. Comput. Sci. 1989, 29, 101-105
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 101-105
-
-
Cooke-Fox, D.I.1
Kirby, G.H.2
Rayner, J.D.3
-
23
-
-
0024665010
-
Computer translation of IUPAC systematic organic chemical nomenclature. 2. Development of a formal grammar
-
Cooke-Fox, D. I.; Kirby, G. H.; Rayner, J. D. Computer translation of IUPAC systematic organic chemical nomenclature. 2. Development of a formal grammar J. Chem. Inf. Comput. Sci. 1989, 29, 106-112
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 106-112
-
-
Cooke-Fox, D.I.1
Kirby, G.H.2
Rayner, J.D.3
-
24
-
-
0024665311
-
Computer translation of IUPAC systematic organic chemical nomenclature. 3. Syntax analysis and semantic processing
-
Cooke-Fox, D. I.; Kirby, G. H.; Rayner, J. D. Computer translation of IUPAC systematic organic chemical nomenclature. 3. Syntax analysis and semantic processing J. Chem. Inf. Comput. Sci. 1989, 29, 112-118
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 112-118
-
-
Cooke-Fox, D.I.1
Kirby, G.H.2
Rayner, J.D.3
-
25
-
-
0042285135
-
Computer translation of IUPAC systematic organic chemical nomenclature. 4. Concise connection tables to structure diagrams
-
Cooke-Fox, D. I.; Kirby, G. H.; Lord, M. R.; Rayner, J. D. Computer translation of IUPAC systematic organic chemical nomenclature. 4. Concise connection tables to structure diagrams J. Chem. Inf. Comput. Sci. 1990, 30, 122-127
-
(1990)
J. Chem. Inf. Comput. Sci.
, vol.30
, pp. 122-127
-
-
Cooke-Fox, D.I.1
Kirby, G.H.2
Lord, M.R.3
Rayner, J.D.4
-
26
-
-
0042551002
-
Computer translation of IUPAC systematic organic chemical nomenclature. 5. Steroid nomenclature
-
Cooke-Fox, D. I.; Kirby, G. H.; Lord, M. R.; Rayner, J. D. Computer translation of IUPAC systematic organic chemical nomenclature. 5. Steroid nomenclature J. Chem. Inf. Comput. Sci. 1990, 30, 128-132
-
(1990)
J. Chem. Inf. Comput. Sci.
, vol.30
, pp. 128-132
-
-
Cooke-Fox, D.I.1
Kirby, G.H.2
Lord, M.R.3
Rayner, J.D.4
-
27
-
-
0023965741
-
SMILES, A CHEMICAL LANGUAGE AND INFORMATION SYSTEM. 1. INTRODUCTION TO METHODOLOGY AND ENCODING RULES
-
Weininger, D. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules J. Chem. Inf. Comput. Sci. 1988, 28, 31-36 (Pubitemid 18574254)
-
(1988)
Journal of Chemical Information and Computer Sciences
, vol.28
, Issue.1
, pp. 31-36
-
-
Weininger David1
-
28
-
-
0000554921
-
Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles
-
Murray-Rust, P.; Rzepa, H. S. Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles J. Chem. Inf. Comput. Sci. 1999, 39, 928-942 (Pubitemid 129579826)
-
(1999)
Journal of Chemical Information and Computer Sciences
, vol.39
, Issue.6
, pp. 928-942
-
-
Murray-Rust, P.1
Rzepa, H.S.2
-
29
-
-
84902570093
-
Treatment of variable valence in organic nomenclature (Lambda Convention)
-
Powell, W. Treatment of variable valence in organic nomenclature (Lambda Convention) Pure Appl. Chem. 1984, 56, 769-778
-
(1984)
Pure Appl. Chem.
, vol.56
, pp. 769-778
-
-
Powell, W.1
-
30
-
-
79953165282
-
-
accessed January 12
-
Tchekhovskoi, D. InChI Canonicalization Algorithm. http://sourceforge. net/mailarchive/forum.php?thread-name=5.1.1.5.2.20050708111329.02502190%40email. nist.gov&forum-name=inchi-discuss (accessed January 12, 2011).
-
(2011)
InChI Canonicalization Algorithm
-
-
Tchekhovskoi, D.1
-
31
-
-
79953185657
-
-
InChI Technical Manual. (accessed January 12).
-
InChI Technical Manual. http://www.iupac.org/inchi/ (accessed January 12, 2011).
-
(2011)
-
-
-
32
-
-
0027692922
-
Stereoisomer generation in computer-enhanced structure elucidation
-
Razinger, M.; Balasubramanian, K.; Perdih, M.; Munk, M. E. Stereoisomer generation in computer-enhanced structure elucidation J. Chem. Inf. Comput. Sci. 1993, 33, 812-825
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 812-825
-
-
Razinger, M.1
Balasubramanian, K.2
Perdih, M.3
Munk, M.E.4
-
33
-
-
84981828672
-
Specification of molecular chirality
-
Cahn, R. S.; Ingold, C.; Prelog, V. Specification of molecular chirality Angew. Chem., Int. Ed. Engl. 1966, 5, 385-415
-
(1966)
Angew. Chem., Int. Ed. Engl.
, vol.5
, pp. 385-415
-
-
Cahn, R.S.1
Ingold, C.2
Prelog, V.3
-
34
-
-
0020169638
-
Basic principles of the CIP-system and proposals for a revision
-
Prelog, V.; Helmchen, G. Basic principles of the CIP-system and proposals for a revision Ange. Chem., Int. Ed. 1982, 21, 567-583
-
(1982)
Ange. Chem., Int. Ed.
, vol.21
, pp. 567-583
-
-
Prelog, V.1
Helmchen, G.2
-
35
-
-
0027462440
-
The CIP sequence rules: Analysis and proposal for a revision
-
Mata, P.; Lobo, A. M.; Marshall, C.; Johnson, A. P. The CIP sequence rules: Analysis and proposal for a revision Tetrahedron: Asymmetry 1993, 4, 657-668
-
(1993)
Tetrahedron: Asymmetry
, vol.4
, pp. 657-668
-
-
Mata, P.1
Lobo, A.M.2
Marshall, C.3
Johnson, A.P.4
-
36
-
-
79953180306
-
-
JNI-InChI. (accessed January 12).
-
Adams, S. JNI-InChI. http://jni-inchi.sourceforge.net/ (accessed January 12, 2011).
-
(2011)
-
-
Adams, S.1
-
37
-
-
79953227621
-
-
OPSIN Web Interface. (accessed January 12).
-
OPSIN Web Interface. http://opsin.ch.cam.ac.uk/ (accessed January 12, 2011).
-
(2011)
-
-
-
38
-
-
0037361967
-
The Chemistry Development Kit (CDK): An open-source java library for chemo- and bioinformatics
-
Steinbeck, C.; Han, Y.; Kuhn, S.; Horlacher, O.; Luttmann, E.; Willighagen, E. The Chemistry Development Kit (CDK): An open-source java library for chemo- and bioinformatics J. Chem. Inf. Comput. Sci. 2003, 43, 493-500
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 493-500
-
-
Steinbeck, C.1
Han, Y.2
Kuhn, S.3
Horlacher, O.4
Luttmann, E.5
Willighagen, E.6
-
39
-
-
79953174855
-
-
accessed January 12
-
ChemBridge. http://www.chembridge.com/ (accessed January 12, 2011).
-
(2011)
-
-
-
40
-
-
33646888347
-
-
CambridgeSoft: Cambridge, MA.
-
ChemDraw; CambridgeSoft: Cambridge, MA.
-
ChemDraw
-
-
-
41
-
-
79953178525
-
-
Chemistry Add-in for Word: Microsoft Research. (accessed January 12).
-
Chemistry Add-in for Word: Microsoft Research. http://research.microsoft. com/chem4word/ (accessed January 12, 2011).
-
(2011)
-
-
-
42
-
-
79953195417
-
-
Oscar3. (accessed January 12).
-
Corbett, P. Oscar3. http://sourceforge.net/projects/oscar3-chem/ (accessed January 12, 2011).
-
(2011)
-
-
Corbett, P.1
|