Molecular similarity in drug design:
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
London u.a.
Blackie Acad. & Professional
1995
|
| Ausgabe: | 1. ed. |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XIV, 342 S. graph. Darst. |
| ISBN: | 0751402214 |
Internformat
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| 245 | 1 | 0 | |a Molecular similarity in drug design |c ed. by P. M. Dean |
| 250 | |a 1. ed. | ||
| 264 | 1 | |a London u.a. |b Blackie Acad. & Professional |c 1995 | |
| 300 | |a XIV, 342 S. |b graph. Darst. | ||
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| 650 | 2 | |a Conception de médicaments | |
| 650 | 7 | |a Geneesmiddelen |2 gtt | |
| 650 | 7 | |a Molecular design |2 gtt | |
| 650 | 7 | |a Molecuulstructuur |2 gtt | |
| 650 | 7 | |a Médicaments - Conception |2 ram | |
| 650 | 7 | |a Ontwerpen |2 gtt | |
| 650 | 7 | |a QSAR |2 gtt | |
| 650 | 7 | |a Structure moléculaire |2 ram | |
| 650 | 4 | |a Drug Design | |
| 650 | 4 | |a Drugs |x Design |x Computer simulation | |
| 650 | 4 | |a Molecular Conformation | |
| 650 | 4 | |a Molecular Structure | |
| 650 | 4 | |a QSAR (Biochemistry) | |
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Datensatz im Suchindex
| _version_ | 1804124914970525696 |
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| adam_text | MOLECULAR SIMILARITY IN DRUG DESIGN EDITED BY P. M. DEAN DEPARTMENT OF
PHARMACOLOGY UNIVERSITY OF CAMBRIDGE CAMBRIDGE UK BLACKIE ACADEMIC &
PROFESSIONAL AN IMPRINT OF CHAPMAN & HALL LONDON * GLASGOW * WEINHEIM *
NEW YORK * TOKYO * MELBOURNE * MADRAS CONTENTS 1 DEFINING MOLECULAR
SIMILARITY AND COMPLEMENTARITY FOR DRUG DESIGN 1 P.M. DEAN 1.1
INTRODUCTION 1 1.1.1 MOLECULAR SIMILARITY: A BASIC TOOL FOR DRUG DESIGN
2 1.1.2 MOLECULAR SHAPE SIMILARITY AND COMPLEMENTARITY 2 1.1.3 MOLECULAR
ELECTROSTATIC POTENTIAL SIMILARITY 3 1.1.4 MOLECULAR ELECTROSTATIC
POTENTIAL COMPLEMENTARITY 4 1.1.5 MOLECULAR HYDROPHOBIC SIMILARITY 5
1.1.6 HYDROGEN BONDING SIMILARITY AND COMPLEMENTARITY 5 1.2 PROBLEMS IN
USING MOLECULAR SIMILARITY METHODS FOR DRUG DESIGN 6 1.2.1 PROBLEMS WITH
COMBINATORICS OF SITE POINTS 7 1.2.2 PROBLEMS WITH COMMON SUBSETS OF
SITE POINTS 8 1.2.3 PROBLEMS WITH REGIONAL SIMILARITY AND DISSIMILARITY
8 1.2.4 PROBLEMS WITH DIFFERENT BINDING MODES 9 1.2.5 PROBLEMS WITH
HYDRATION AT THE SITE 10 1.3 EXTRACTION OF MOLECULAR SIMILARITY FROM TWO
OR MORE MOLECULES 10 1.3.1 SIMULATED ANNEALING AS AN OPTIMIZATION METHOD
11 1.3.2 NULL CORRESPONDENCES 12 1.3.3 ANNEALING SCHEDULE 14 1.3.4
ERGODICITY PROBLEMS WITH ANNEALING 15 1.3.5 SIMILARITY BETWEEN MOLECULES
WITH MULTIPLE FEATURES 16 1.4 MOLECULAR DESIGN BASED ON MOLECULAR
SIMILARITY 17 1.4.1 MOLECULAR DESIGN USING SIMILARITY AND MOLECULAR
DATABASES 17 1.4.2 CONFORMATIONAL CHANGES TO MAXIMIZE SIMILARITY 18
1.4.3 MOLECULAR DESIGN USING SIMILARITY AND AUTOMATED DE NOVO METHODS 18
1.4.4 THE DESIGN SURFACE ENVELOPE 18 1.4.5 THE DESIGN SURFACE MOLECULAR
SIMILARITY PARAMETERS 19 1.4.6 CREATION OF NOVEL MOLECULAR SKELETONS
WITH A SIMILAR SUPERSURFACE 19 1.4.7 CREATION OF STRUCTURES WITH
PARAMETER SURFACES SIMILAR TO THE SUPERSURFACE 20 1.5 CONCLUSIONS 21 2
3D MOLECULAR SIMILARITY INDICES AND THEIR APPLICATION IN QSAR STUDIES 24
A.C. GOOD 2.1 INTRODUCTION 24 2.2 AN INDEX OF INDICES 25 2.2.1
CUMULATIVE INDICES 25 2.2.2 DISCRETE INDICES 29 2.3 THE ULTIMATE INDEX
30 2.4 MOLECULAR SUPERPOSITION AND PROPERTY EVALUATION 33 2.4.1 A
GRID-BASED VIEW OF SPACE 33 2.4.2 GAUSSIAN FUNCTION EVALUATION 37 2.4.3
OTHER EVALUATION TECHNIQUES . 40 X CONTENTS 2.5 MOLECULAR SIMILARITY
DATA IN QSAR 43 2.5.1 REGRESSION CORRELATION OF SIMILARITY RESULTS WITH
BIOLOGICAL DATA 43 2.5.2 SIMILARITY MATRICES AND MULTIVARIATE
STATISTICAL TECHNIQUES 45 2.6 CONCLUSIONS 53 3 THE TREATMENT OF
CONFORMATIONALLY FLEXIBLE MOLECULES IN SIMILARITY AND COMPLEMENTARITY
SEARCHING 57 A.R. LEACH 3.1 INTRODUCTION 57 3.2 METHODS FOR EXPLORING
CONFORMATIONAL SPACE: A SUMMARY 59 3.3 SYSTEMATIC SEARCH METHODS 60 3.4
MODEL-BUILDING APPROACHES 63 3.5 RANDOM SEARCH METHODS 65 3.6 CHOOSING
THE STRUCTURE TO BE RANDOMISED 66 3.7 SIMULATED ANNEALING 67 3.8
DISTANCE GEOMETRY 67 3.9 GENETIC ALGORITHMS 71 3.10 MOLECULAR DYNAMICS
72 3.11 CONFORMATIONAL ANALYSIS IN SIMILARITY SEARCHING 73 3.12
CONFORMATIONAL ASPECTS OF COMPLEMENTARITY SEARCHING 76 3.13
CONFORMATIONAL FLEXIBILITY IN 3D DATABASE SEARCHES 82 3.14 CONCLUSIONS
84 4 EXPLOITING SIMILARITY BETWEEN HIGHLY FLEXIBLE AND DISSIMILAR
MOLECULAR STRUCTURES 89 T.D.J. PERKINS 4.1 INTRODUCTION 89 4.2 MOLECULAR
CONFORMATION 90 4.2.1 COMBINATORIAL COMPLEXITY AND THE MULTIPLE MINIMA
PROBLEM 91 4.2.2 DETERMINATION OF RELATIVE VALUES OF STRUCTURES 92 4.2.3
METHODS FOR GENERATING CONFORMERS 93 4.3 SIMILARITY AND CONFORMATION 94
4.3.1 MOLECULAR MATCHING METHODS 94 4.3.2 THE FMATCH ALGORITHM 97 4.4
EXPLOITATION OF MATCHES 105 4.4.1 ASSESSMENT OF MATCHES 105 4.4.2 USE OF
GENERATED PHARMACOPHORES 106 4.4.3 ENVELOPE-DIRECTED DRUG DESIGN 106
4.4.4 UNRESOLVED PROBLEMS AND FUTURE DIRECTIONS 106 4.5 CONCLUSIONS 107
5 SIMILARITY-SEARCHING AND CLUSTERING ALGORITHMS FOR PROCESSING
DATABASES OF TWO-DIMENSIONAL AND THREE-DIMENSIONAL CHEMICAL STRUCTURES
110 P. WILLETT 5.1 INTRODUCTION 110 5.2 EVALUATION OF EFFECTIVENESS 113
5.3 CLUSTERING DATABASES OF 2D STRUCTURES 117 5.3.1 INTRODUCTION 117
5.3.2 HIERARCHICAL CLUSTERING METHODS 118 5.3.3 NON-HIERARCHICAL
CLUSTERING METHODS 121 5.4 SIMILARITY SEARCHING IN DATABASES OF 3D
STRUCTURES 122 5.4.1 INTRODUCTION 122 CONTENTS XI 5.4.2 THE
ATOM-MAPPING METHOD 123 5.4.3 UPPERBOUND STRATEGIES 125 5.5 SIMILARITY
SEARCHING IN DATABASES OF 3D PROTEIN STRUCTURES 128 5.6 CONCLUSIONS 132
6 EXPERIENCES WITH SEARCHING FOR MOLECULAR SIMILARITY IN
CONFORMATIONALLY FLEXIBLE 3D DATABASES 138 J.S. MASON 6.1 INTRODUCTION
138 6.2 CREATION OF A VIABLE 3D DATABASE 139 6.2.1 OBTAINING THE 3D
STRUCTURES 140 6.2.2 DEALING WITH CONFORMATIONAL FLEXIBILITY 143 6.2.3
DENNING ATOM AND PROPERTY ENVIRONMENTS 146 6.2.4 DATABASE KEYS AND
TRANSFERABILITY 150 6.3 IDENTIFICATION OF NEW LEADS BY 3D DATABASE
PHARMACOPHORIC SEARCHING 151 6.3.1 DENNING THE PHARMACOPHORIC QUERY:
PHARMACOPHORE IDENTIFICATION 151 6.3.2 IDENTIFICATION OF MATCHING
STRUCTURES: CONFORMATIONAL, QUERY DEFINITION AND SEARCH STRATEGIES 154
6.3.3 ANALYSIS OF MATCHING STRUCTURES: VISUALISATION AND FURTHER
DATABASE ANALYSIS 157 6.4 GENERATION AND OPTIMISATION OF NOVEL LEADS
USING 3D DATABASES 158 6.4.1 USING IDEAS DATABASES 158 6.4.2 MOLECULAR
SCAFFOLDS AND SYNTHONS 159 6.4.3 COMPLEMENTARITY-BASED SEARCHING 160 6.5
CONCLUSION 160 7 MOLECULAR SURFACE COMPARISONS 163 B.B. MASEK 7.1
INTRODUCTION TO SURFACE SIMILARITY AND COMPLEMENTARITY 163 7.2 DEFINING
MOLECULAR SURFACES 165 7.3 SURFACE COMPARISON: ALIGNMENT AND
CONFORMATION 166 7.4 METHODS 166 7.4.1 DOCK AND OTHER GEOMETRICAL
METHODS 167 7.4.2 MATCHING KNOBS AND HOLES 168 7.4.3 LEAST-SQUARES
METHODS 170 7.4.4 SURFACE COMPARISON BY PROJECTION ONTO A PLANE 172
7.4.5 SURFACE COMPARISON BY GNOMONIC PROJECTION 172 7.4.6 SURFACE
COMPARISON VIA PROJECTION ONTO A CYLINDER 175 7.4.7 FOURIER ANALYSIS OF
SURFACES 177 7.5 METHODS UTILIZING SURFACES WITH THICKNESS 178 7.5.1
USING A DISCRETE DOUBLE SURFACE FOR SURFACE COMPLEMENTARITY 178 7.5.2
MATCHING MOLECULAR SURFACE CUBES 179 7.5.3 COMPARISON OF MOLECULAR SKINS
181 7.6 CONCLUSION 183 8 NEURAL NETWORKS IN THE SEARCH FOR SIMILARITY
AND STRUCTURE-ACTIVITY 187 DJ. LIVINGSTONE AND D.W. SALT 8.1
INTRODUCTION 187 8.2 WHAT ARE NEURAL NETWORKS? 189 8.3 APPLICATIONS 194
8.3.1 PROTEIN STRUCTURE PREDICTION 194 8.3.2 PREDICTION OF CHEMICAL
PROPERTIES 200 8.3.3 BIOLOGICAL PROPERTIES AND CHEMICAL STRUCTURE 203
8.3.4 SIMILARITY THROUGH DATA DISPLAY 207 8.4 SUMMARY 211 XLL CONTENTS 9
MOLECULAR SIMILARITY AND COMPLEMENTARITY BASED ON THE THEORY OF ATOMS IN
MOLECULES 215 P.L.A. POPELIER 9.1 INTRODUCTION 215 9.2 THE CHARGE
DENSITY AS STARTING POINT 216 9.2.1 WHY THE CHARGE DENSITY? 216 9.2.2 A
CONVENTIONAL WAY TO COMPUTE THE CHARGE DENSITY 217 9.2.3 WHAT
WAVEFUNCTIONS ARE WITHIN REACH? 218 9.3 SELECTED TOPICS FROM AIM 219
9.3.1 THE TOPOLOGY OF THE CHARGE DENSITY 219 9.3.2 LOCAL PROPERTIES 221
9.3.3 INTEGRATED PROPERTIES 223 9.4 SIMILARITY 226 9.5 COMPLEMENTARITY
228 9.5.1 BASIC TENET 228 9.5.2 THE TOPOLOGY OF THE LAPLACIAN 229 9.5.3
THE ATOMIC GRAPH 230 9.6 EXAMPLE: HALOPERIDOL 231 9.6.1 LOCAL PROPERTIES
231 9.6.2 INTEGRATED PROPERTIES 233 9.6.3 COMPLEMENTARITY 234 9.7
CONCLUSION 236 9.8 FUTURE DEVELOPMENTS 236 10 METHODS OF MOLECULAR SHAPE
SIMILARITY AND TOPOLOGICAL SHAPE DESIGN 241 P.G. MEZEY 10.1 THE ROLE OF
SHAPE ANALYSIS IN DRUG DESIGN 241 10.1.1 MOLECULAR SIMILARITY AND THE
PREDICTION OF MOLECULAR PROPERTIES 241 10.1.2 THREE-DIMENSIONAL
REPRESENTATIONS OF MOLECULAR SHAPE 244 10.1.3 THE NEED FOR NUMERICAL
SIMILARITY MEASURES AND COMPLEMENTARITY MEASURES 246 10.2
ELECTRON-DENSITY COMPUTATIONS FOR LARGE MOLECULES 247 10.2.1 THE MEDLA
APPROACH: MOLECULAR ELECTRON-DENSITY LEGO ASSEMBLER AS COMPUTATIONAL
MICROSCOPE 248 10.2.2 DATABANK FOR ELECTRON-DENSITY MODELLING OF SHAPES
OF LARGE MOLECULES 251 10.3 THE TOPOLOGY OF MOLECULAR SHAPE: BASIC
CONCEPTS 251 10.3.1 MOLECULAR BODIES AND MOLECULAR SURFACES 252 10.3.2
MOLECULAR ISODENSITY CONTOURS (MIDCO) 254 10.3.3 DENSITY DOMAINS
ANALYSIS (DDA) AND FUNCTIONAL GROUPS 256 10.3.4 THE SHAPE GROUP METHODS
258 10.4 NUMERICAL SHAPE CODES AND MEASURES OF MOLECULAR SIMILARITY AND
COMPLEMENTARITY 260 10.4.1 THE (A, FT)-PARAMETER MAPS AS SHAPE CODES 261
10.4.2 SHAPE SIMILARITY MEASURES FROM SHAPE CODES 262 10.4.3 SHAPE
COMPLEMENTARITY MEASURES FROM SHAPE CODES 263 10.4.4 PATTERN GRAPHS OF
(A, FC)-PARAMETER MAPS 266 10.4.5 RESOLUTION-BASED SIMILARITY MEASURES
266 10.5 SUMMARY 267 11 THE APPLICATION OF MOLECULAR TOPOLOGY TO DRUG
DESIGN* TOPOLOGICAL DESCRIPTIONS OF MOLECULAR SHAPE 269 D. WHITLEY AND
M. FORD 11.1 INTRODUCTION 269 CONTENTS XLLL 11.2 GRAPHS, SURFACES AND
TOPOLOGY 271 11.2.1 TOPOLOGICAL EQUIVALENCE 272 11.2.2 CLASSIFYING
SURFACES 272 11.2.3 AN ALGORITHM FOR SURFACE GRAPHS 275 11.3 SHAPE
SEQUENCES 276 11.3.1 SHAPE SEQUENCES FOR N-METHYL PIPERIDINE 277 11.3.2
DEPENDENCE ON ATOMIC RADII AND ORDERING 280 11.4 SHAPE GRAPHS 282 11.4.1
MOLECULAR SYMMETRY 284 11.4.2 STABILITY OF SHAPE GRAPHS 286 11.4.3 A
SUBSTRUCTURE SEARCH 287 11.5 CONCLUSIONS AND FUTURE DIRECTIONS 288 12
COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA) 291 K.H. KIM 12.1
INTRODUCTION 291 12.1.1 STARTING FROM CLASSICAL QSAR 291 12.1.2 3D-QSAR
292 12.1.3 COMFA 293 12.2 BIOLOGICAL DATA 295 12.3 SELECTION OF
COMPOUNDS AND SERIES DESIGN 295 12.4 GENERATION OF THREE-DIMENSIONAL
STRUCTURE OF THE LIGAND MOLECULES 296 12.5 CONFORMATIONAL ANALYSIS OF
EACH MOLECULE 298 12.6 ESTABLISHMENT OF THE BIOACTIVE CONFORMATION OF
EACH MOLECULE 300 12.7 SUPERIMPOSITION OF THE MOLECULES 303 12.7.1
ALIGNMENT BASED ON ATOM OVERLAPPING 304 12.7.2 ALIGNMENT BASED ON
RECEPTOR BINDING SITES 304 12.7.3 ALIGNMENT BASED ON FIELDS OR
PSEUDOFIELDS 304 12.8 CALCULATION OF THE INTERACTION ENERGIES 305 12.8.1
POSITION OF THE LATTICE POINTS 305 12.8.2 CONSTRUCTION OF DATA TABLE AND
INTERACTION ENERGY CALCULATIONS 306 12.8.3 MOLECULAR FORCE FIELDS 306
12.9 PRETREATMENT OF DATA 308 12.9.1 REDUCTION OF THE DATA 308 12.9.2
SCALING OF THE DATA 310 12.9.3 CENTERING OF THE DATA 311 12.10
STATISTICAL ANALYSIS OF THE DATA AND SELECTION OF 3D-QSAR MODEL 311
12.10.1 PARTIAL LEAST-SQUARES (PLS) ANALYSIS 311 12.10.2 VALIDATION OF
COMFA 312 12.10.3 DERIVATION OF 3D-QSAR MODEL 315 12.10.4 OUTLIER
DETECTION 316 12.10.5 PITFALLS 316 12.10.6 CONSIDERATION OF ALL
COMPOUNDS AND OMISSION OF COMPOUNDS 316 12.11 DISPLAY OF THE RESULTS IN
CONTOUR PLOTS AND THEIR INTERPRETATION 317 12.11.1 CONTOUR PLOTS 317
12.11.2 PLS PLOTS 318 12.12 DESIGN AND FORECASTING THE ACTIVITY OF
UNKNOWN COMPOUNDS 318 12.12.1 DESIGN OF NEW COMPOUNDS 318 12.12.2
FORECASTING THE ACTIVITY OF UNKNOWN COMPOUNDS 318 12.13 MISCELLANEOUS
ASPECTS OF COMFA 319 12.13.1 QSAR VALIDATION OF COMFA METHODOLOGY 319
12.13.2 NON-LINEAR RELATIONSHIPS IN COMFA 320 12.13.3 INDICATOR VARIABLE
IN COMFA 320 12.13.4 HYDROPHOBIC EFFECTS AND DRUG TRANSPORT,
DISTRIBUTION AND ELIMINATION 320 12.13.5 LIMITATIONS IN COMFA 321
12.13.6 MULTIPLE OR ALTERNATE BINDING MODE 321 XIV CONTENTS 12.13.7
CHECKLIST FOR COMFA PUBLICATIONS 321 12.14 CONCLUSIONS 323 INDEX 333
|
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| building | Verbundindex |
| bvnumber | BV010481517 |
| callnumber-first | R - Medicine |
| callnumber-label | RS420 |
| callnumber-raw | RS420 |
| callnumber-search | RS420 |
| callnumber-sort | RS 3420 |
| callnumber-subject | RS - Pharmacy |
| classification_rvk | VC 6250 |
| ctrlnum | (OCoLC)32109610 (DE-599)BVBBV010481517 |
| dewey-full | 615/.19/00113 |
| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 615 - Pharmacology and therapeutics |
| dewey-raw | 615/.19/00113 |
| dewey-search | 615/.19/00113 |
| dewey-sort | 3615 219 3113 |
| dewey-tens | 610 - Medicine and health |
| discipline | Chemie / Pharmazie Medizin |
| edition | 1. ed. |
| format | Book |
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| id | DE-604.BV010481517 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T17:53:14Z |
| institution | BVB |
| isbn | 0751402214 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-006984704 |
| oclc_num | 32109610 |
| open_access_boolean | |
| owner | DE-355 DE-BY-UBR DE-188 |
| owner_facet | DE-355 DE-BY-UBR DE-188 |
| physical | XIV, 342 S. graph. Darst. |
| publishDate | 1995 |
| publishDateSearch | 1995 |
| publishDateSort | 1995 |
| publisher | Blackie Acad. & Professional |
| record_format | marc |
| spelling | Molecular similarity in drug design ed. by P. M. Dean 1. ed. London u.a. Blackie Acad. & Professional 1995 XIV, 342 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Conception de médicaments Geneesmiddelen gtt Molecular design gtt Molecuulstructuur gtt Médicaments - Conception ram Ontwerpen gtt QSAR gtt Structure moléculaire ram Drug Design Drugs Design Computer simulation Molecular Conformation Molecular Structure QSAR (Biochemistry) Struktur-Aktivitäts-Beziehung (DE-588)4183784-8 gnd rswk-swf Molekulare Erkennung (DE-588)4243520-1 gnd rswk-swf Arzneimitteldesign (DE-588)4278218-1 gnd rswk-swf Arzneimitteldesign (DE-588)4278218-1 s Molekulare Erkennung (DE-588)4243520-1 s DE-604 Struktur-Aktivitäts-Beziehung (DE-588)4183784-8 s Dean, Philip M. Sonstige oth GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=006984704&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Molecular similarity in drug design Conception de médicaments Geneesmiddelen gtt Molecular design gtt Molecuulstructuur gtt Médicaments - Conception ram Ontwerpen gtt QSAR gtt Structure moléculaire ram Drug Design Drugs Design Computer simulation Molecular Conformation Molecular Structure QSAR (Biochemistry) Struktur-Aktivitäts-Beziehung (DE-588)4183784-8 gnd Molekulare Erkennung (DE-588)4243520-1 gnd Arzneimitteldesign (DE-588)4278218-1 gnd |
| subject_GND | (DE-588)4183784-8 (DE-588)4243520-1 (DE-588)4278218-1 |
| title | Molecular similarity in drug design |
| title_auth | Molecular similarity in drug design |
| title_exact_search | Molecular similarity in drug design |
| title_full | Molecular similarity in drug design ed. by P. M. Dean |
| title_fullStr | Molecular similarity in drug design ed. by P. M. Dean |
| title_full_unstemmed | Molecular similarity in drug design ed. by P. M. Dean |
| title_short | Molecular similarity in drug design |
| title_sort | molecular similarity in drug design |
| topic | Conception de médicaments Geneesmiddelen gtt Molecular design gtt Molecuulstructuur gtt Médicaments - Conception ram Ontwerpen gtt QSAR gtt Structure moléculaire ram Drug Design Drugs Design Computer simulation Molecular Conformation Molecular Structure QSAR (Biochemistry) Struktur-Aktivitäts-Beziehung (DE-588)4183784-8 gnd Molekulare Erkennung (DE-588)4243520-1 gnd Arzneimitteldesign (DE-588)4278218-1 gnd |
| topic_facet | Conception de médicaments Geneesmiddelen Molecular design Molecuulstructuur Médicaments - Conception Ontwerpen QSAR Structure moléculaire Drug Design Drugs Design Computer simulation Molecular Conformation Molecular Structure QSAR (Biochemistry) Struktur-Aktivitäts-Beziehung Molekulare Erkennung Arzneimitteldesign |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=006984704&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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