QSAR and strategies in the design of bioactive compounds proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel

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adam_text QSAR AND STRATEGIES IN THE DESIGN OF BIOACTIVE COMPOUNDS PROCEEDINGS OF THE FIFTH EUROPEAN SYMPOSIUM ON QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS BAD SEGEBERG 1984 EDITED BY J. K. SEYDEL UNIVERSITATSBIBLIOTHEK HANNOVER TECHNISCHE INFORMATIONSBIBLIOTHEK VCH CONTENTS PREFACE V PAPERS OPENING LECTURE TO WHICH EXTENT CAN RECEPTOR EVENTS BE EXTRAPOLATED FROM DRUG-INDUCED RESPONSES? 3 H. LIILLMANN, A. ZIEGLER SESSION I METHODS IN QSAR CHAIRMAN: R. M. HYDE EVOLUTION OF QSAR METHODOLOGY AND THE ROLE OF NEWER COMPUTATIONAL TECHNIQUES 19 M. WISE ON THE EVALUATION OF STRUCTURAL ACTIVITY PATTERNS 30 R. FRANKE, W. J. STREICH, S. DOVE A NEW APPROACH IN COMPUTER-AIDED DERIVATION OF QSAR 39 B. JERMAN-BLAZIC, M. RANDIC, J. ZEROVNIK STRUCTURE-ACTIVITY ANALYSIS USING HIERARCHICALLY ORGANIZED STRUCTURAL MOLECULAR DESCRIPTORS 49 W. SCHUBERT SESSION II QSAR PARAMETERS CHAIRMAN: V AUSTEL QSAR PARAMETERS 59 R. FRANKE AMINO ACID SIDE CHAIN PARAMETERS AND THEIR USE IN QSAR STUDIES OF POLYPEPTIDE HORMONES 79 J.-L. FAUCHERE THE POTENTIAL ENERGY FUNCTION AND THE ROLE OF CONFORMATIONAI ENTROPY OF CLONIDINE-LIKE IMIDAZOLIDINES FOR THE AFFINITY TO ALPHA-ADRENERGIC RECEPTORS 83 F. AVBELJ, D. HADZI RAPID CALCULATION OF ELECTRONIC EFFECTS IN ORGANIC MOLECULES 90 J. GASTEIGER, M.G. HUTCHINGS, M. MARSILI, H. SAILER THE STERIMOL APPROACH. POSSIBLE CONTRIBUTION TO RECEPTOR MAPPING 98 A. VERLOOP _ VII CONTENS SESSION III MOLECULAR MODELLING CHAIRMAN: C. HANSCH APPLICATIONS OF SYSTEMATIC SEARCH TO STRUCTURE-ACTIVITY STUDIES 107 G. R. MARSHALL, S. NARUTO, I. MOTOC, R. NELSON, C. SCHNEIDER, T. NUKES, J. MEARA DISTANCE GEOMETRY QSAR: CURRENT ACHIEVEMENTS AND FUTURE EXTENSIONS 116 A. K. GHOSE, G. M. CRIPPEN A QSAR ANALYSIS OF THE BINDING OF BENZYIPYRIMIDINES TO DIHYDROFOLATE REDUCTASE USING MOLECULAR SHAPE ANALYSIS 120 M. MABILIA, R. A. PEARLSTEIN, A. J. HOPFINGER THEORETICAL INVESTIGATION OF THE METHOTREXATE-DIHYDROFOLATE REDUCTASE INTERACTION COMPLEX 127 H.-D. HOLTJE, R ZUNKER STRUCTURE AND ACTIVITY OF PROGESTERONE DERIVATIVES 135 F. J. ZEELEN SESSION IV APPLICATION OF QSAR ANALYSIS IN MEDICINAL CHEMISTRY CHAIRMAN: J.G. TOPLISS QSAR AND GRAPHICS LIGAND RECEPTOR INTERACTION 145 C. HANSCH COMPARISON BETWEEN X-RAY CRYSTALLOGRAPHIC DATA AND PHYSICOCHEMICAL PARAMETERS WITH RESPECT TO THEIR INFORMATION ABOUT THE CALCIUM CHANNEL ANTAGONISTIC ACTIVITY OF 4-PHENYL-1,4-DIHYDROPYRIDINES 146 P BERNTSSON TOWARDS A QUANTUM CHEMICALLY DERIVED INTERACTION MODEL FOR NONSTEROIDAL ANTIINFLAMMA- TORY DRUGS: QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS FOR SUBSTITUTED BENZOIC AND SALICYLIC ACIDS AND PHENOLS 153 J. GERHARDS, E. L MEHLER TETRACYCLIC NEUROLEPTICS STRUCTURALLY RELATED TO MIANSERIN 162 J. KELDER, TH. DE BOER, J.S. DE GRAAF, J. H. WIERINGA SESSION V APPLICATION OF QSAR ANALYSIS IN PHARMACOKINETICS CHAIRMAN: H. KUBINYI MULTIVARIATE METHODS IN QUANTITATIVE STRUCTURE PHARMACOKINETICS RELATIONSHIP ANALYSIS 173 K.-J. SCHAPER, J. K. SEYDEL VIII CONTENS BIOLOGICAL ACTIVITY - CHEMICAL STRUCTURE - TIME OF ACTION 190 M. TICHY, Z. ROTH RATIONALLY DESIGNED MODEL WITH GENERAL APPLICABILITY FOR ABSORPTION BY PASSIVE DIFFUSION 198 F H. N. DE HAAN, A. C. A. JANSEN SESSION VI APPLICATION OF QSAR IN AGROCHEMISTRY CHAIRMAN: W DRABER APPLICATIONS OF QUANTITATIVE STRUCTURE-ACTIVITY ANALYSES TO PESTICIDES AND GROWTH REGULATORS 207 T. FUJITA THE USE OF MULTIVARIATE DATA SETS IN THE STUDY OF STRUCTURE-ACTIVITY RELATIONSHIPS OF SYNTHETIC PYRETHROID INSECTICIDES: PART I THE RELATIONSHIP BETWEEN PHYSICOCHEMICAL AND PHARMACOKINETIC PROPERTIES 219 R.M. SZYDLO, M.G. FORD, R. GREENWOOD, D.W. SALT THE USE OF MULTIVARIATE DATA SETS IN THE STUDY OF STRUCTURE-ACTIVITY RELATIONSHIPS OF SYNTHETIC PYRETHROID INSECTICIDES: PART II THE RELATIONSHIPS BETWEEN PHARMACOKINETICS AND TOXICITY 229 R.M. SZYDLO, M.G. FORD, R. GREENWOOD, D.W. SALT QSAR OF 1,4-BENZOQUINONES IN PHOTOSYNTHETIC SYSTEMS 238 W. OETTMEIER, K. MASSON, H.-J. SOIL, E. OLSCHEWSKI POSTER SESSION I METHODS AND PARAMETERS IN QSAR CHAIRMAN: M. TUTE MANUAL DESIGN OF TEST SERIES FOR FREE-WILSON ANALYSIS 247 V. AUSTEL PHARMACOCHEMICAL DISTANCE BASED ON DERIVED FRAGMENT CODES AND BIOLOGICAL SCREENING DATA 251 M. BLUNCK, E. MOELLER INCORPORATION OF PHYSICAL CHEMICAL PARAMETERS IN RECEPTOR MAPPING BASED ON DISTANCE GEOMETRY 256 T. BULTSMA, M. R. LINSCHOTEN QSAR FOR PEPTIDE BIOACTIVITY 260 M. CHARTON LONIZATION CONSTANTS BY CURVE FITTING: FURTHER APPLICATION TO THE DETERMINATION OF PARTI- TION COEFFICIENTS 264 F H. CLARKE IX CONTENS SUBSTITUENT INTERACTIONS IN THE LIPOPHILICITY OF DISUBSTITUTED BENZENES AS ASSESSED BY RP-HPLC 268 N. EL TAYAR, H. VAN DE WATERBEEMD, B. TESTA LINEAR PROGRAMMING; A NOVEL TECHNIQUE IN QSAR 272 Z. GABANYI, A. LOPATA MOLAR VOLUME IN DRUG DESIGN 273 M. GRYLLAKI, H. VAN DE WATERBEEMD, B. TESTA ESTIMATION OF LOG P VALUE USING THE PHYSICOCHEMICAL PARAMETERS DERIVED FROM MOLECULAR STRUCTURE 277 K. KASAI, A. TOMONAGA QUANTITATIVE CORRELATION OF PROTON AFFINITIES AND LONIZATION POTENTIALS WITH STRUCTURE 281 I. A. KOPPEL, U.H. MOLDER FACTOR ANALYSIS AND CANONICAL CORRELATION ANALYSIS IN DRUG RESEARCH 285 W. LAASS PH-DEPENDENCE OF HYDROPHOBIC PARAMETERS IN SETS OF LONIZABLE DRUGS 290 M.I. LA ROTONDA, G. AMATO, F BARBATO, G. CALIENDO, C. SILIPO, A. VITTORIA COMPUTER CALCULATION OF OCTANOL/WATER PARTITION COEFFICIENTS OF ORGANIC SOLUTES FROM STRUCTURE 294 A. J. LEO NEW GEOMETRICAL AND ELECTRONIC DESCRIPTORS OF MOLECULES FOR STRUCTURE-ACTIVITY RELATIONSHIPS 299 R. SCORDAMAGLIA, L. BARINO THE PLS DATA ANALYTIC METHOD IN QSAR 305 B. SKAGERBERG, W. J. DUNN III, S. HELLBERG, S. WOLD POSTER SESSION II APPLICATION OF QSAR IN MEDICINAL CHEMISTRY AND PHARMACOKINETICS CHAIRMAN: J. DEARDEN QUANTITATIVE RELATIONSHIP BETWEEN TRANS-PLACENTAL TRANSFER AND PHYSICOCHEMICAL PROPER- TIES OF A SERIES OF HETEROGENOUS DRUGS 313 J. R AKBARALY, J.J. LENG, G. BOZLER, J. K. SEYDEL ENZYMATIC HYDROLYSES OF ALANYL-ALANINE-ANILIDES BY DIPEPTIDYL PEPTIDASE IV: A CONTRI- BUTION OF QSAR TO THE INVESTIGATION OF THE MECHANISM 318 A. BARTH, K. NEUBERT, G. SCHWARZ, G. FISCHER, S. DOVE, R. FRANKE COMPUTER ASSISTED DESIGN OF A NOVEL TYPE OF TRANQUILLANT 324 F DARVAS, A. LOPATA, Z. BUDAI, L. PETOCZ CONTENS MATHEMATICAL MODELLING OF THE DRUG TRANSPORT PROCESS - INCORPORATION OF REALISTIC TRANS- FER RATE CONSTANTS AND A DISSOLUTION STEP 328 J.C. DEARDEN, M.S. TOWNEND APPLICATION OF TOPOLOGICAL MOLECULAR TRANSFORM TO DESIGN CARDIOSELECTIVE B-BLOCKING AGENTS 333 Z. GABANYI SELECTED METHODS OF QUANTITATIVE STRUCTURE-ACTIVITY ANALYSIS IN THE DEVELOPMENT OF BETA- ADRENERGIC BLOCKING DRUGS 337 A. GRISK, H. BERCHER, A. GRUSKA PHYSICOCHEMICAL CRITERIA FOR RIGHT-SHIFTING THE OXYGEN DISSOCIATION CURVE OF WHOLE BLOOD 341 R.M. HYDE, D.J. LIVINGSTONE ANTITHROMBOTIC ACTIVITIES OF ARYLALIPHATIC ACIDS - QSAR APPROACH 345 M. KUCHAF, V. REJHOLEC BETA-ADRENERGIC BLOCKING AGENTS: SYNTHESIS AND QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS OF 1-LSOPROPYLAMINO-3-(2 -SUBSTITUTED NAPHTHOXY)-PROPAN-2-OLS 349 V. M. KULKAMI, S. B. GUNDEWAR QUANTITATIVE STRUCTURE-STABILITY RELATIONSHIPS AMONG INCLUSION COMPLEXES OF CYCLODEX- TRINS. PART 2. STEROID HORMONES 353 A. LOPATA, F DARVAS, A. STADLER-SZOKE, J. SZEJTLI STUDIES ON THE DIFFERENT INFLUENCE OF ORGANIC NITRATES ON GUANYLATE CYCLASE ACTIVITY AND CORONARY FLOW 357 E. NOACK, H. SCHRODER, R. BONN QSAR IN MAPPING OF HISTAMINE H, RECEPTORS 361 A. K. SAXENA, M. SAXENA, S. K. AGRAWAL, G. K. PATNAIK RIGID CALCIUM ANTAGONISTS OF THE NIFEDIPINE-TYPE: GEOMETRIC REQUIREMENTS FOR THE DIHYDROPYRIDINE RECEPTOR 366 W. SEIDEL, H. MEYER, L BORN, S. KAZDA, W. DOMPERT REACTIVITY AND STEREOCHEMICAL PARAMETERS IN QSAR FOR CARCINOGENIC POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVES 370 Z. SIMON, D. CIUBOTARIU, A.I BALABAN QUANTUM MECHANICAL STUDY OF .THE ACTIVITY OF SOME H 2 -RECEPTOR AGONISTS OF HISTAMINE 374 YG. SMEYERS, FJ. ROMERO-SANCHEZ, A. HERNANDEZ-LAGUNA SUCCESSFUL PREDICTION OF A POTENT NON-HORMONAL ANTI-INFLAMMATORY: SPECIFIC AND NON- SPECIFIC MODELS OF BIOLOGICAL ACTIVITY 378 S. H. UNGER, PS. CHEUNG, P FEIGNER, J. M. MUCHOWSKI QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS OF A SERIES OF NITROIMIDAZOLES 382 H.A. VERPLANKEN, C. J. DE RANTER XI CONTENS POSTER SESSION III QSAR IN AGROCHEMISTRY AND IN ENVIRONMENTAL SAFETY CHAIRMAN: P MOSER STEPWISE CANONICAL CORRELATION ANALYSIS: A NEW APPROACH FOR THE STUDY OF STRUCTURAL REQUIREMENTS OF BROAD SPECTRUM ACTIVITY 389 B. BORDAS LIPOPHILICITY CONSTANTS DERIVED FROM HPLC TO DESCRIBE THE ENVIRONMENTAL BEHAVIOUR OF PHENOLS 393 W. BUTTE THE PREDICTION OF CHEMICAL, PHYSICAL AND BIOLOGICAL PROPERTIES OF HALOAROMATIC COMPOUNDS 398 M. CHARTON, B. CHARTON THEORETICAL CONSIDERATIONS ABOUT THE POSSIBLE MODE OF ACTION OF PRECOCENES 403 Z. DINYA, T. TIMAR, S. HOSZTAFI, A. FODOR, R DEAK, A. SOMOGYI, M. BERENYI STRUCTURE-ACTIVITY RELATIONSHIPS OF INHIBITORS OF A FUNGAL CHITIN SYNTHETASE 410 H. P FISCHER, E. EBERT, R MOSER QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS IN THE INHIBITION OF PHOTO-SYSTEM II IN CHLOROPLASTS BY PHENYLUREAS 414 E. KAKKIS, V C. PALMIRE JR., C. D. STRONG, W. BERTSCH, C. HANSCH, U. SCHIRMER STEPWISE VARIATION STRATEGY IN THE EVALUATION OF QSAR FOR FUNGICIDAL 2-ANILINOPYRIMI- DINES BY MEANS OF DISCRIMINANT ANALYSIS 416 G. KRAUSE, M. KLEPEL, R. FRANKE A QSAR STUDY OF THE RAT LD 50 FOR ALCOHOLS 420 R. L LIPNICK, C. S. PRITZKER, D. L BENTLEY ON THE MECHANISM OF ANTIFUNGAL ACTION OF NITROALCOHOL DERIVATIVES 424 A. LOPATA, F DARVAS, G. MIKITE, A. KIS-TAMAS, G. GULLNER, G. JOSEPOVITS THE APPLICATION OF QSAR STRATEGIES IN THE DESIGN OF A FAMILY OF BROAD SPECTRUM PYRETHROID INSECTICIDES BASED ON BIPHENYL-LIKE ALCOHOLS 425 E. L PLUMMER OPTIMIZATION OF AUXINE ACTIVITY OF BENZOTRIAZOLES BY QSAR 429 F SPARATORE, M. I. LA ROTONDA, G. CALIENDO, C. SILIPO, A. VITTORIA AUTHOR INDEX 434 SUBJECT INDEX 437 XII
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spellingShingle QSAR and strategies in the design of bioactive compounds proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel
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title QSAR and strategies in the design of bioactive compounds proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel
title_auth QSAR and strategies in the design of bioactive compounds proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel
title_exact_search QSAR and strategies in the design of bioactive compounds proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel
title_full QSAR and strategies in the design of bioactive compounds proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel
title_fullStr QSAR and strategies in the design of bioactive compounds proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel
title_full_unstemmed QSAR and strategies in the design of bioactive compounds proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel
title_short QSAR and strategies in the design of bioactive compounds
title_sort qsar and strategies in the design of bioactive compounds proceedings of the 5 european symposium on quantitative structure activity relationships bad segeberg 198436 ed by j k seydel
title_sub proceedings of the 5. European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg 198436 ed. by J. K. Seydel
topic Struktur-Aktivitäts-Beziehung (DE-588)4183784-8 gnd
Pharmakologie (DE-588)4045687-0 gnd
QSAR (DE-588)4205429-1 gnd
topic_facet Struktur-Aktivitäts-Beziehung
Pharmakologie
QSAR
Konferenzschrift 1984 Segeberg
url http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=000283844&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
work_keys_str_mv AT seydeljoachimk qsarandstrategiesinthedesignofbioactivecompoundsproceedingsofthe5europeansymposiumonquantitativestructureactivityrelationshipsbadsegeberg198436edbyjkseydel
AT europeansymposiumonquantitativestructureactivityrelationshipsbadsegeberg qsarandstrategiesinthedesignofbioactivecompoundsproceedingsofthe5europeansymposiumonquantitativestructureactivityrelationshipsbadsegeberg198436edbyjkseydel