Chemical nomenclatures and the computer:
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Taunton
Research Studies Press u.a.
1993
|
| Series: | Computers and chemical structure information series
4 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XII, 264 S. graph. Darst. |
| ISBN: | 0863801560 0471942391 |
Staff View
MARC
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| 100 | 1 | |a Polton, D. J. |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Chemical nomenclatures and the computer |c D. J. Polton |
| 264 | 1 | |a Taunton |b Research Studies Press u.a. |c 1993 | |
| 300 | |a XII, 264 S. |b graph. Darst. | ||
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| 338 | |b nc |2 rdacarrier | ||
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| 650 | 7 | |a Chimie - Nomenclature - Informatique |2 ram | |
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| 650 | 4 | |a Chemistry |x Nomenclature |x Data processing | |
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Record in the Search Index
| _version_ | 1804123560467234816 |
|---|---|
| adam_text | Titel: Chemical nomenclatures and the computer
Autor: Polton, Donald John
Jahr: 1993
Contents
Page
CHAPTER
1
Introduction
1
Structural
representation
1
Nomenclatures,
notations
and
line-formulae
4
Principal
chemical
nomenclature
and
notation
systems
7
Brief
description
of
the
systems
selected
for
study
10
The
nodal
nomenclature
of
Lozac h
11
The
new
Dyson
nomenclature
16
The
HIRN
system
28
Nomenclature
translation
31
Outline
of
the
project
32
CHAPTER
2
Storage
of
the
structure
34
The
path
connectivity
matrix
(PCM)
34
General
construction
of
the
PCM
35
Acyclic
structures
35
Cyclic
structures
41
Heterocycles
-
nodal
variation
49
Unsaturation
-
edge
variation
51
Multicomponent
structures
56
Stereochemistry
58
Other
information
60
Examples
62
Conversion
of
a
variety
of
nomenclatures
and
notations
to
and
from
the
PCM
65
Other
uses
of
the
PCM
67
CHAPTER
3
Derivation
of
the
Path
Connectivity
Matrix
69
Introduction
69
IUPAC
nomenclature
69
The
nodal
nomenclature
of
Lozac h
78
The
HIRN
system
87
The
new
Dyson
nomenclature
88
The
Hull
Concise
Connection
Table
(CCT)
104
Input
by
interactive
question
and
answer
107
The
Wiswesser
Line
Notation
(WLN)
114
IX
CHAPTER
4
Derivation
of
names
for
acyclic
hydrocarbons
117
Introduction
ll
7
General
procedure
for
analysis
of
the
PCM
117
Examination
of
end-to-end
chains
121
IUPAC
nomenclature
132
The
Concise
Connection
Table
(CCT)
134
The
nodal
nomenclature
of
Lozac h
134
The
HIRN
system
141
The
new
Dyson
nomenclature
143
The
modified
Dyson-IUPAC
(DIP)
notation
143
CHAPTER
5
Derivation
of
names
for
cyclic
structures
150
Nomenclature/notation
systems
covered
150
Calculating
the
smallest
number
of
rings
in
a
polycycle
151
Analysis
of
the
fused
ring
PCM
153
Derivation
of
the
Smallest
Set
of
Smallest
Rings
(SSSR)
159
Dyson
type
notation
and
nomenclature
from
the
SSSR
165
The
nodal
nomenclature
of
Lozac h
178
The
HIRN
system
199
The
von
Baeyer
enumeration
204
CHAPTER
6
Problems
with
computer
application
205
Introduction
205
SSSR
versus
largest
ring
206
Order
of
rings
in
the
SSSR
207
Dual
systems
of
naming
polycycles
208
The
longest
bridge
and
branching
bridges
209
Internal
rings
in
polycycles
211
The
prefix
cyclo
and
multiplier
212
Enlargement
and
diminution
of
cycle
size
213
Orientation
of
a
polycycle
213
Use
of
the
longest
chain
for
acyclic
nomenclature
214
Looking
ahead
for
data
215
Exceptions
to
rules
215
Mixed
sorting
216
Omission
of
the
1-locant
216
Use
of
alkyl
names
217
Alphabetical
order
218
Atom,
group
and
section
multipliers
218
Subscripts
and
superscripts
219
Order
of
non-carbon
atoms
219
Alternative
names
220
Trivial
names
and
radicals
220
Computer
(un)
friendliness
221
x
CHAPTER
7
Towards
a
new
nomenclature
223
Introduction
223
Choice
of
main
ring
228
Enumeration
of
a
polycycle
230
Description
of
the
numbering
system
for
cyclic
structures
236
The
PCM
from
a
cyclic
code
237
Acyclic
structures
238
Numbering
the
main
chain
240
Numbering
the
branch
nodes
241
Describing
the
structure
242
Conversion
of
an
acyclic
code
to
a
PCM
244
Derivation
of
the
new
acyclic
code
from
a
PCM
246
Heterocyclic
atoms
and
unsaturation
251
Spiro
structures
252
Other
aspects
253
CHAPTER
8
Conclusion
254
References
258
Index
262
XI
|
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| isbn | 0863801560 0471942391 |
| language | English |
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| physical | XII, 264 S. graph. Darst. |
| publishDate | 1993 |
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| publisher | Research Studies Press u.a. |
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| series | Computers and chemical structure information series |
| series2 | Computers and chemical structure information series |
| spelling | Polton, D. J. Verfasser aut Chemical nomenclatures and the computer D. J. Polton Taunton Research Studies Press u.a. 1993 XII, 264 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Computers and chemical structure information series 4 Chimie - Nomenclature - Informatique ram Structure chimique - Informatique ram Chemie Datenverarbeitung Chemical structure Data processing Chemistry Nomenclature Data processing Datenverarbeitung (DE-588)4011152-0 gnd rswk-swf Chemische Struktur (DE-588)4009857-6 gnd rswk-swf Chemische Nomenklatur (DE-588)4009852-7 gnd rswk-swf Chemische Struktur (DE-588)4009857-6 s Datenverarbeitung (DE-588)4011152-0 s DE-604 Chemische Nomenklatur (DE-588)4009852-7 s Computers and chemical structure information series 4 (DE-604)BV005033166 4 HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=006061428&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Polton, D. J. Chemical nomenclatures and the computer Computers and chemical structure information series Chimie - Nomenclature - Informatique ram Structure chimique - Informatique ram Chemie Datenverarbeitung Chemical structure Data processing Chemistry Nomenclature Data processing Datenverarbeitung (DE-588)4011152-0 gnd Chemische Struktur (DE-588)4009857-6 gnd Chemische Nomenklatur (DE-588)4009852-7 gnd |
| subject_GND | (DE-588)4011152-0 (DE-588)4009857-6 (DE-588)4009852-7 |
| title | Chemical nomenclatures and the computer |
| title_auth | Chemical nomenclatures and the computer |
| title_exact_search | Chemical nomenclatures and the computer |
| title_full | Chemical nomenclatures and the computer D. J. Polton |
| title_fullStr | Chemical nomenclatures and the computer D. J. Polton |
| title_full_unstemmed | Chemical nomenclatures and the computer D. J. Polton |
| title_short | Chemical nomenclatures and the computer |
| title_sort | chemical nomenclatures and the computer |
| topic | Chimie - Nomenclature - Informatique ram Structure chimique - Informatique ram Chemie Datenverarbeitung Chemical structure Data processing Chemistry Nomenclature Data processing Datenverarbeitung (DE-588)4011152-0 gnd Chemische Struktur (DE-588)4009857-6 gnd Chemische Nomenklatur (DE-588)4009852-7 gnd |
| topic_facet | Chimie - Nomenclature - Informatique Structure chimique - Informatique Chemie Datenverarbeitung Chemical structure Data processing Chemistry Nomenclature Data processing Chemische Struktur Chemische Nomenklatur |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=006061428&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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