-
1
-
-
4344669742
-
The need for systematic naming software tools for exchange of chemical information
-
Williams, A.; Yerin, A. The need for systematic naming software tools for exchange of chemical information. Molecules 1999, 4, 255-263.
-
(1999)
Molecules
, vol.4
, pp. 255-263
-
-
Williams, A.1
Yerin, A.2
-
5
-
-
0004328687
-
-
International Union of Pure and Applied Chemistry. Pergamon: Oxford
-
International Union of Pure and Applied Chemistry. Nomenclature of Organic Chemistry, Sections A, B, C, D, E, F, and H, 1979 Edition; Pergamon: Oxford, 1979.
-
(1979)
Nomenclature of Organic Chemistry, Sections A, B, C, D, E, F, and H, 1979 Edition
-
-
-
6
-
-
0003955767
-
-
International Union of Pure and Applied Chemistry (IUPAC); Organic Chemistry Division, Commision on Nomenclature of Organic Chemistry (III.1). Panico, R.; Powell, W. H.; Richer, J. C.; Ed.; Blackwell Science: Oxford
-
International Union of Pure and Applied Chemistry (IUPAC); Organic Chemistry Division, Commision on Nomenclature of Organic Chemistry (III.1). A Guide to IUPAC Nomenclature of Organic Compounds: Recommendations 1993; Panico, R.; Powell, W. H.; Richer, J. C.; Ed.; Blackwell Science: Oxford, 1993;
-
(1993)
A Guide to IUPAC Nomenclature of Organic Compounds: Recommendations 1993
-
-
-
7
-
-
33845419497
-
-
[Chem. Abstr. 1994, 120, 297652].
-
(1994)
Chem. Abstr.
, vol.120
, pp. 297652
-
-
-
8
-
-
18944403502
-
Corrections to a guide to IUPAC nomenclature of organic compounds (IUPAC recommendations 1993)
-
Favre, H. A.; Hellwich, K.-H.; Moss, G. P.; Powell, W. H.; Traynham, J. G. Corrections to a guide to IUPAC nomenclature of organic compounds (IUPAC recommendations 1993). Pure Appl. Chem. 1999, 71, 1327-1330.
-
(1999)
Pure Appl. Chem.
, vol.71
, pp. 1327-1330
-
-
Favre, H.A.1
Hellwich, K.-H.2
Moss, G.P.3
Powell, W.H.4
Traynham, J.G.5
-
10
-
-
0036314538
-
Phane nomenclature. Part II. Modification of the degree of hydrogenation and substitution derivatives of phane parent hydrides (IUPAC recommendations 2002)
-
Favre, H. A.; Hellwinkel, D.; Powell, W. H.; Smith, H. A., Jr.; Tsay, S. S.-C. Phane nomenclature. Part II. Modification of the degree of hydrogenation and substitution derivatives of phane parent hydrides (IUPAC recommendations 2002). Pure Appl. Chem. 2002, 74, 809-834.
-
(2002)
Pure Appl. Chem.
, vol.74
, pp. 809-834
-
-
Favre, H.A.1
Hellwinkel, D.2
Powell, W.H.3
Smith Jr., H.A.4
Tsay, S.S.-C.5
-
11
-
-
21644437730
-
Numbering of fullerenes
-
Cozzi, F.; Powell, W. H.; Thilgen, C. Numbering of fullerenes. Pure Appl. Chem. 2005, 77, 843-923.
-
(2005)
Pure Appl. Chem.
, vol.77
, pp. 843-923
-
-
Cozzi, F.1
Powell, W.H.2
Thilgen, C.3
-
12
-
-
33845459155
-
Nomenclature for Rotaxanes
-
Submitted to. [Provisional Recommendations, IUPAC]. (accessed in October, 2006)
-
Yerin, A.; Metanomski, W. V.; Moss, G. P.; Wilks, E. S.; Harada, A. Nomenclature for Rotaxanes. Submitted to Pure Appl. Chem. [Provisional Recommendations, IUPAC]. http://ibiblio.lsu.edu/main/iupac/reports/provisional/ abstract05/yerin_300406.html (accessed in October, 2006).
-
Pure Appl. Chem.
-
-
Yerin, A.1
Metanomski, W.V.2
Moss, G.P.3
Wilks, E.S.4
Harada, A.5
-
13
-
-
5244295088
-
Systematic chemical nomenclatures in the computer age
-
Kirby, G. H.; Polton, D. J. Systematic chemical nomenclatures in the computer age. J. Chem. Inf. Comput. Sci. 1993, 33, 560-563.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 560-563
-
-
Kirby, G.H.1
Polton, D.J.2
-
16
-
-
14344281952
-
Chemico-linguistics: Computer translation of chemical nomenclature
-
Garfield, E. Chemico-linguistics: computer translation of chemical nomenclature. Nature 1961, 192, 192-194.
-
(1961)
Nature
, vol.192
, pp. 192-194
-
-
Garfield, E.1
-
17
-
-
5244335623
-
AUTONOM: System for computer translation of structural diagrams into IUPAC-compatible names. 1. General design
-
Wisniewski, J. L. AUTONOM: system for computer translation of structural diagrams into IUPAC-compatible names. 1. General design. J. Chem. Inf. Comput. Sci. 1990, 30, 324-32.
-
(1990)
J. Chem. Inf. Comput. Sci.
, vol.30
, pp. 324-332
-
-
Wisniewski, J.L.1
-
18
-
-
33751500724
-
AUTONOM: System for computer translation of structural diagrams into IUPAC-compatible names. 2. Nomenclature of chains and rings
-
Goebels, L.; Lawson, A. J.; Wisniewski, J. L. AUTONOM: system for computer translation of structural diagrams into IUPAC-compatible names. 2. Nomenclature of chains and rings. J. Chem. Inf. Comput. Sci. 1991, 31, 216-25.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 216-225
-
-
Goebels, L.1
Lawson, A.J.2
Wisniewski, J.L.3
-
19
-
-
33845383010
-
Digital naming of organic compounds: On some successful algorithms
-
Wisniewski, J. L. Digital naming of organic compounds: on some successful algorithms. Hypernews 1997, 2, 22-29.
-
(1997)
Hypernews
, vol.2
, pp. 22-29
-
-
Wisniewski, J.L.1
-
20
-
-
33845381836
-
-
San Leandro CA, USA
-
ISIS Draw 2.5 with AutoNom 2000, MDL Information Systems, Inc.: San Leandro CA, USA, www.mdl.com, 2002.
-
(2002)
ISIS Draw 2.5 with AutoNom 2000
-
-
-
21
-
-
33845408515
-
-
Cambridge MA, USA
-
ChemDraw Ultra 10.0, CambridgeSoft Corporation: Cambridge MA, USA, www.cambridgesoft.com, 2005.
-
(2005)
ChemDraw Ultra 10.0
-
-
-
22
-
-
33845468695
-
-
Toronto ON, Canada
-
ACD/Name, version 9.08, Advanced Chemistry Development, Inc.: Toronto ON, Canada, www.acdlabs.com, 2006.
-
(2006)
ACD/Name, Version 9.08
-
-
-
23
-
-
33845388901
-
-
Philadelphia PA, USA
-
IUPAC NameIt, Bio-Rad Laboratories: Philadelphia PA, USA, www.bio-rad.com.
-
IUPAC NameIt
-
-
-
24
-
-
33845397499
-
-
Santa Fe NM, USA
-
Lexichem, version 1.5, OpenEye Scientific Software, Inc.: Santa Fe NM, USA, www.eyesopen.com, 2006.
-
(2006)
Lexichem, Version 1.5
-
-
-
25
-
-
33845468247
-
-
San Diego, CA, USA
-
Nomenclator, ChemInnovation Software, Inc.: San Diego, CA, USA, www.cheminnovation.com, 2006.
-
(2006)
Nomenclator
-
-
-
26
-
-
5444223697
-
Personal experience with four kinds of chemical structure drawing software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch
-
Li, Z.; Wan, H.; Shi, Y.; Ouyang, P. Personal experience with four kinds of chemical structure drawing software: review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch. J. Chem. Inf. Comput. Sci. 2004, 44, 1886-1890.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 1886-1890
-
-
Li, Z.1
Wan, H.2
Shi, Y.3
Ouyang, P.4
-
27
-
-
0037386674
-
Valenzen, Bindungen und Orbitale - Struktureditoren
-
Engel, T. Valenzen, Bindungen und Orbitale - Struktureditoren. Nachr. Chem. 2003, 51, 450-453.
-
(2003)
Nachr. Chem.
, vol.51
, pp. 450-453
-
-
Engel, T.1
-
28
-
-
26944474818
-
Chemistry Software Package ChemOffice Ultra 2005
-
Zielesny, A. Chemistry Software Package ChemOffice Ultra 2005. J. Chem. Inf. Model. 2005, 45, 1474-1477.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 1474-1477
-
-
Zielesny, A.1
-
29
-
-
26944496073
-
Software Review: ChemOffice 2005 Pro by CambridgeSoft
-
Irwin, J. J. Software Review: ChemOffice 2005 Pro by CambridgeSoft. J. Chem. Inf. Model. 2005, 45, 1469.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 1469
-
-
Irwin, J.J.1
-
30
-
-
10044271187
-
ChemDraw 8 Ultra, Windows and Macintosh Versions
-
Mendelsohn, L. D. ChemDraw 8 Ultra, Windows and Macintosh Versions. J. Chem. Inf. Comput. Sci. 2004, 44, 2225-2226.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 2225-2226
-
-
Mendelsohn, L.D.1
-
31
-
-
33845422448
-
IUPAC Name Pro 4.5 with Name to Structure Module
-
Selliah, R. D. IUPAC Name Pro 4.5 with Name to Structure Module. J. Am. Chem. Soc. 2001, 123, 6463.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 6463
-
-
Selliah, R.D.1
-
32
-
-
0034191666
-
Nomenklatur in der Chemie: The next generation
-
Koch, R.; Lemmler, M. Nomenklatur in der Chemie: The next generation. Nachr. Chem. 2000, 48, 642-646.
-
(2000)
Nachr. Chem.
, vol.48
, pp. 642-646
-
-
Koch, R.1
Lemmler, M.2
-
33
-
-
17044363623
-
Chemische Nomenklatur per Mausklick
-
Vogt, J. Chemische Nomenklatur per Mausklick. Nachr. Chem. 2005, 53, 428-431.
-
(2005)
Nachr. Chem.
, vol.53
, pp. 428-431
-
-
Vogt, J.1
-
34
-
-
33845421561
-
-
note
-
For the latter two journals the 2005 issues had not been fully indexed by the CAS when this work was started.
-
-
-
-
35
-
-
5344244908
-
Chemical similarity searching
-
Willett, P.; Barnard, J. M.; Downs, G. M. Chemical similarity searching. J. Chem. Inf. Comput. Sci. 1998, 38, 983-996.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 983-996
-
-
Willett, P.1
Barnard, J.M.2
Downs, G.M.3
-
36
-
-
30844443282
-
Molecular similarity and diversity in chemoinformatics: From theory to applications
-
Maldonado, A. G.; Doucet, J. P.; Petitjean, M.; Fan, B.-T. Molecular similarity and diversity in chemoinformatics: From theory to applications. Mol. Diversity 2006, 10, 39-79.
-
(2006)
Mol. Diversity
, vol.10
, pp. 39-79
-
-
Maldonado, A.G.1
Doucet, J.P.2
Petitjean, M.3
Fan, B.-T.4
-
37
-
-
33845443962
-
-
note
-
'Struct=Name' is a new proprietary algorithm that replaces the AutoNom one used in earlier versions of ChemDraw.
-
-
-
-
38
-
-
33845398892
-
-
note
-
'Use Retained Replacements', 'Advanced Enclosing Marks', No 'Forward Locants Position', Hantzsch-Widman New Stems', 'Extended Fused List', No 'New Functional Groups Names', 'Stereoconfiguration: Absolute', no 'Stereo Wedge Direction', no 'Name Preferred Tautomeric Form', 'Refuse To Name: Fused Multiparent Systems, Complex Bridged Fused Systems', Complex Multiplicative Structures', 'Use Biochemical Names: Steroids, Alkaloids, Terpenes, Carbohydrates, Amino Acids, Peptides', 'Select Language: English'. For both nomenclature tools 'Capitalization First Letter of Name'' was chosen and for ACD/Name Index [31] 'Name Preferred Tautomeric Form' was enabled.
-
-
-
-
39
-
-
33845454109
-
-
note
-
ACD/Labs has developed its naming algorithms alone and calls the CAS-like names 'Index names'.
-
-
-
-
40
-
-
33646241042
-
SciFinder Scholar 2006: An Empirical Analysis of Research Topic Query Processing
-
Wagner, B. A. SciFinder Scholar 2006: An Empirical Analysis of Research Topic Query Processing. J. Chem. Inf. Model. 2006, 46, 767-774.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 767-774
-
-
Wagner, B.A.1
-
41
-
-
0001720136
-
Spezifikation der molekularen Chiralität
-
Cahn, R. S.; Ingold, C. K.; Prelog, V. Spezifikation der molekularen Chiralität. Angew. Chem. 1966, 78, 413-447;
-
(1966)
Angew. Chem.
, vol.78
, pp. 413-447
-
-
Cahn, R.S.1
Ingold, C.K.2
Prelog, V.3
-
43
-
-
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.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 943-950
-
-
Brecher, J.1
-
44
-
-
84935093576
-
Nomenclature of fused and bridged fused ring systems
-
Moss, G. P. Nomenclature of fused and bridged fused ring systems. Pure Appl. Chem. 1998, 70, 43-216.
-
(1998)
Pure Appl. Chem.
, vol.70
, pp. 43-216
-
-
Moss, G.P.1
-
45
-
-
33845457565
-
-
Pegnitz, Germany. ScienceServe is the local ACD distributor for Germany, Austria, and Switzerland
-
ScienceServe GmbH, Pegnitz, Germany (www.scienceserve.com). ScienceServe is the local ACD distributor for Germany, Austria, and Switzerland.
-
-
-
|