From Chemical Topology to Three-Dimensional Geometry

Front Cover
Alexandru T. Balaban
Springer Science & Business Media, Jan 31, 1997 - Medical - 420 pages
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Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.
  

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Contents

I
1
II
3
IV
5
V
7
VII
14
VIII
15
IX
18
X
20
CVIII
229
CIX
237
CX
238
CXIII
244
CXIV
245
CXV
246
CXVII
247
CXVIII
253

XI
25
XII
26
XIII
29
XIV
32
XV
36
XVI
40
XVIII
43
XIX
46
XXI
47
XXII
50
XXIII
51
XXIV
55
XXV
58
XXVI
62
XXVII
64
XXVIII
66
XXIX
67
XXX
68
XXXI
69
XXXII
73
XXXIII
77
XXXIV
78
XXXV
79
XXXVIII
80
XXXIX
81
XL
82
XLIII
83
XLIV
86
XLV
87
XLVIII
89
LII
90
LV
91
LVII
95
LVIII
101
LIX
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LX
107
LXIII
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LXIV
109
LXV
110
LXVI
111
LXVII
113
LXVIII
117
LXIX
119
LXX
120
LXXI
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LXXII
123
LXXIII
132
LXXIV
133
LXXV
134
LXXVI
136
LXXVII
138
LXXVIII
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LXXX
141
LXXXI
142
LXXXII
143
LXXXIII
147
LXXXIV
151
LXXXV
154
LXXXVI
159
LXXXVII
162
LXXXVIII
163
LXXXIX
171
XC
173
XCI
174
XCII
180
XCIII
183
XCIV
184
XCV
186
XCVI
188
XCVII
190
XCVIII
192
XCIX
194
C
199
CI
200
CII
205
CIII
209
CIV
213
CV
215
CVI
220
CVII
223
CXIX
254
CXXI
255
CXXIII
257
CXXIV
259
CXXVI
260
CXXVII
263
CXXVIII
264
CXXIX
267
CXXX
269
CXXXI
270
CXXXIII
272
CXXXIV
273
CXXXV
274
CXXXVI
275
CXXXVII
276
CXXXVIII
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CXXXIX
278
CXL
279
CXLI
280
CXLII
282
CXLIII
284
CXLIV
286
CXLVI
287
CXLVII
288
CXLVIII
289
CXLIX
291
CL
292
CLI
293
CLIII
294
CLIV
297
CLV
299
CLVI
300
CLVII
303
CLVIII
304
CLIX
307
CLXI
309
CLXII
310
CLXIII
312
CLXV
315
CLXVI
317
CLXVII
320
CLXVIII
322
CLXIX
323
CLXXII
325
CLXXIII
326
CLXXIV
327
CLXXV
328
CLXXVI
329
CLXXVIII
330
CLXXIX
331
CLXXX
332
CLXXXI
333
CLXXXII
334
CLXXXIII
336
CLXXXIV
343
CLXXXV
344
CLXXXVI
347
CLXXXVII
350
CLXXXVIII
355
CLXXXIX
360
CXC
363
CXCI
368
CXCII
370
CXCIII
374
CXCIV
376
CXCV
380
CXCVI
384
CXCVII
386
CXCVIII
387
CXCIX
389
CC
390
CCI
392
CCII
394
CCIII
396
CCIV
399
CCV
402
CCVI
408
CCVII
410
CCVIII
415
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Support Vector Machine in Chemistry

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