Qsar in drug design and toxicology: proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986
Saved in:
| Format: | Conference Proceeding Book |
|---|---|
| Language: | Undetermined |
| Published: |
Amsterdam u.a.
Elsevier
1987
|
| Series: | Pharmacochemistry library
10 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | X, 375 S. |
| ISBN: | 0444427678 |
Staff View
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Record in the Search Index
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| adam_text | 2 L PHARMACOCHEMISTRY LIBRARY EDITORS: W.TH. NAUTA T , R.F. REKKERAND H.
TIMMERMAN VOLUME 10 QSAR IN DRUG DESIGN AND TOXICOLOGY PROCEEDINGS OF
THE SIXTH EUROPEAN SYMPOSIUM ON QUANTITATIVE STUCTURE-ACTIVITY
RELATIONSHIPS, PORTOROZ-PORTOROSE (YUGOSLAVIA), 22-26 SEPTEMBER, 1986
EDITED BY DUSAN HADZI LEK * PHARMACEUTICAL AND CHEMICAL WORKS AND BORIS
KIDRIC INSTITUTE OF CHEMISTRY, LJUBLJANA, YUGOSLAVIA AND
BORKAJERMAN-BLAZIC INSTITUTE JOZEF STEFAN, LJUBLJANA, YUGOSLAVIA
ELSEVIER * AMSTERDAM * OXFORD * NEW YORK * TOKYO 1987 CONTENTS D. HADZI
PREFACE ... SECTION I * CHEMOMETRICS IN DRUG DESIGN + R.D. CRAMER III
AND J.D. BUNCE THE DYLOMMS METHOD: INITIAL RESULTS FROM A COMPARATIVE
STUDY OF APPROACHES TO 3D QSAR 3 L.B. KIER A STRUCTURE BASED APPROACH TO
MOLECULAR SHAPE 13 S. CLEMENTI, G. COATA, C. EBERT, L. LASSIANI, P.
LINDA, S. HELLBERG, M. SJOSTRDM AND S. WOLD PARTIAL LEAST SQUARES
ANALYSIS IN DRUG DESIGN 19 J.W. MCFARLAND AND D.J. GANS CLUSTER
SIGNIFICANCE ANALYSIS IN QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
(QSAR) 25 O.A. RAEVSKY QSAR DESCRIPTION OF MOLECULAR STRUCTURE 31 F.
DARVAS COMPUTER-AIDED SOFT DRUG DESIGN 37 I.B. BERSUKER, A.S. DIMOGLO
AND M.YU. GORBACHOV THE ELECTRON-TOPOLOGIC APPROACH TO THE QSAR PROBLEM
ILLUSTRATED BY INHIBITOR ACTIVITY
FORTHYMIDINEPHOSPHORYLASEANDA-CHYMOTRYPSIN 43 I.K. PAJEVA, Z.CH. LATEVA
AND G.V. DIMITROV SAR ORIENTED DATABASE AIDS SELECTION OF COMPOUNDS FOR
SCREENING 49 B. JERMAN-BLAZIC, I. FABIS AND M. RANDIC APPLICATION OF
STRING COMPARISON TECHNIQUES IN QSAR STUDIES 52 C. CATIVIELA, J.
ELGUERO, J.I. GARCIA AND D. MATHIEU THE SEARCH OF HETEROCYCLIC
DESCRIPTORS: FREE-WILSON MODELS 55 K.-J. SCHAPER QSAR ANALYSIS OF
LOGIT-TRANSFORMED DOSE RESPONSE CURVES AND. DOSE RESPONSE CURVE
FRAGMENTS OF SET OF COMPOUNDS 58 K. J. SCHAPER AND R. KALISZAN PRINCIPAL
COMPONENT AND MULTIPLE REGRESSION QSAR ANALYSIS OF COMPLEX DOSE RESPONSE
CURVES OF SETS OF COMPOUNDS 61 S. HELLBERG, M. SJOSTROM, B. SKAGERBERG,
C. WIKSTROM AND S. WOLD DESIGN OF MULTIPOSITIONAL TEST SERIES 64 M.
JOHNSON, M. NAIRN, V. NICHOLSON AND C.-C. TSAI COMPARING THE
SUBSTRUCTURE METRIC TO SOME FRAGMENT-BASED MEASURES OF INTERMOLECULAR
STRUCTURAL SIMILARITY 67 F. DARVAS, I. ERDOS AND G. TEGLAS INFLUENCE OF
THE FRAGMENTAL SYSTEMS ON CALCULATED LOGP VALUES: A THEORETICAL
INVESTIGATION USING A LOGIC-BASED EXPERT SYSTEM 70 SECTION II * QSAR IN
MEDICINAL CHEMISTRY AND PHARMACOKINETICS + J.K. SEYDEL, M. WIESE, M.
SATHISH, K. VISSER, M. KANSY, R. HALLER, G. KRCIGER, H. PIPER, K.R. NOLL
AND J. KECK DEVELOPMENT OF FOLATE INHIBITORS OF VARIOUS TYPES AND IN
DIFFERENT BIOLOGICAL SYSTEMS. QSAR-AND MULTIVARIATE DATA ANALYSIS 77 V.
AUSTEL, P. MULLERAND M. REIFFEN SYSTEMATIC CONSIDERATION OF
CONFORMATIONAL PROPERTIES IN SERIES DESIGN 85 VI R.C. YOUNG, M.J. GRAHAM
AND M.L. ROANTREE DIPOLE ORIENTATION IN STRUCTURE-ACTIVITY ANALYSIS OF H
2 -RECEPTOR HISTAMINE ANTAGONISTS 91 A. VERLOOP AND J. TIPKER PHYSICAL
BASIS OF STERIMOL AND RELATED STERIC CONSTANTS 97 A. BRUNS, W.
WAHNSIEDLER, P. WEITZEL, K. VISSER AND J.K. SEYDEL PHARMACOKINETICS OF
FOLATE INHIBITORS IN DIFFERENT SPECIES * QUANTITATIVE STRUCTURE-
PHARMACOKINETIC RELATIONSHIPS AND MULTIVARIATE DATA ANALYSIS 103 M.
TICHY QSAR STUDY ON A DISTRIBUTION OF XENOBIOTICS IN A
BODY*BIOSOLUBILITY 109 P. BERNTSSON, E. JOHANSSON AND C. WESTERLUND
FELODIPINE ANALOGUES: STRUCTURE-ACTIVITY RELATIONSHIPS 114 G.L.
GRUNEWALD, D.J. SAIL AND J.A. MONN A COMPUTER GRAPHICS MODEL OF THE
ACTIVE SITE OF PHENYLETHANOLAMINE N- METHYLTRANSFERASE AND ITS USE IN
THE DESIGN OF SELECTIVE INHIBITORS 118 M. WIESE, J.K. SEYDEL, H. PIPER,
G. KRUGER, K.R. NOLL AND J. KECK DEVELOPMENT OF AN IN VITRO TEST SYSTEM
AND QSAR-ANALYSES FOR INHIBITORS OF THE FOLATE SYNTHESIZING ENZYME
SYSTEM OF PLASMODIUM BERGHEI 121 M. KUCHAF, V. REJHOLEC, Z. ROUBAL AND
E. MATUROVS METABOLIC MODEL AND QSAR OF LONG-ACTING ANTIINFLAMMATORY
ARYLALIPHATIC ACIDS 124 F. BARBATO, B. CAPPELLO, M.I. LA ROTONDA, C.
SILIPO AND A. VITTORIA A NEW CURVE FITTING METHOD TO DESCRIBE THE
PH-PARTITIONING PROFILE OF BASIC DRUGS 127 W. LAASS ESTIMATION OF
BLOOD/AIR PARTITION COEFFICIENTS OF ORGANIC SOLVENTS 131 P.J.H. WHITE AN
HPLC MODEL FOR THE OCTANOL/WATER PARTITION COEFFICIENTS OF VERY
LIPOPHILIC COMPOUNDS 135 I. FACCHETTI AND A. VIGEVANI LIPOPHILIC
CHARACTER AND BIOLOGICAL ACTIVITY OF ANTHRACYCLINES 138 C. REPOND, H.
VAN DE WATERBEEMD, J.M. MAYER, B. TESTA AND W. LINERT THERMODYNAMICS AND
MECHANISM OF PARTITIONING OF ISOMERIC AND HOMOLOGOUS PYRIDYLALKANAMIDES
IN SOLVENT/WATER SYSTEMS 141 D.E. LEAHY, A.L.J. DE MEERE, A.R. WAIT,
P.J. TAYLOR, J.A. TOMENSON AND E. TOMLINSON A GENERAL MODEL RELATING
WATER-OIL PARTITIONING RATES TO PHYSICOCHEMICAL STRUCTURE 144 SECTION
III * LIGAND-RECEPTOR INTERACTIONS R.L. LOPEZ DECOMPADRE, R.A.
PEARLSTEIN, + A.J. HOPFINGERAND J.K. SEYDEL INTRAMOLECULAR
CONFORMATIONAL ENTROPY AS A MOLECULAR SHAPE DESCRIPTOR FOR QSAR ANALYSES
149 H.-D. HOLTJE AND M. HENSE A MOLECULAR MODELLING STUDY ON BINDING OF
PHENOTHIAZINES TO CALMODULIN 157 P.A. LEHMANN F. A MOLECULAR MODEL FOR
STEREOSELECTIVITY 163 J.-P. DUBOST, E. AUDRY, PH. DALLET, M. MONTAGUT
AND A. CARPY INDIRECT MOLECULAR MODELLING APPROACHES IN THE
ALPHA-ADRENERGIC FIELD 169 Y.G. SMEYERS, A. HERNANDEZ-LAGUNA, F.J.
ROMERO-SANCHEZ, C. MUNOZ-CARO AND J.J. RANDEZ QUANTUM MECHANICAL STUDY
OF H 2 RECEPTOR AGONISTS OF HISTAMINE 173 D. HADZI, J. KOLLER, M.
HODOSCEK AND D. KOCJAN CORRELATION OF ELECTROSTATIC POTENTIAL BASED
PARAMETERS OF TRYPTAMINE CONGENERS WITH SEROTONIN RECEPTOR AFFINITY 179
A. MIKLAVC, D. KOCJAN, F. AVBELJ AND D. HADZI ON THE EFFECTS OF
STRUCTURAL FLEXIBILITY ON LIGAND BINDING 185 VII L.H.M. JANSSEN
THERMODYNAMIC ASPECTS OF DRUG-RECEPTOR INTERACTIONS 191 H. VAN DE
WATERBEEMD, P.-A. CARRUPT AND B. TESTA MEP OF BENZAZEPINE ANALOGUES AND
THEIR RELATIONSHIP TO DOPAMINE D-1 RECEPTOR AFFINITY 195 A. NAKAYAMA AND
W.G. RICHARDS CONFORMATIONAL ASPECTS OF INSECT JUVENILE HORMONE MIMETIC
COMPOUNDS 198 N. GOMEZ, M. UNZETA AND M. MARTIN EXPERIMENTAL TEST OF A
THEORETICAL MODEL OF MAO SUBSTRATES: PHENYLPROPYLAMINE AND P-
NITROPHENETHYLAMINE 201 J.J. MORRIS, L.R. HUGHES AND P.J. TAYLOR
HYDROGEN BONDING PARAMETERS IN THE S.A.R. OF NON-STEROIDAL
ANTI-ANDROGENS 204 A. GOLDBLUM IMPROVEMENT OF THE HYDROGEN BONDING
CORRECTION TO MNDO FOR SCF CALCULATIONS OF ASPARTIC PROTEINASE REACTIONS
207 E.A. COATS, K.A. SKAU AND C.S. GENTHER COMPARATIVE CORRELATION
ANALYSIS OF CARBONYL REDUCTASES 210 J. KIDRIC, D. KOCJAN AND D. HADZI
BIOACTIVE CONFORMATION OF ERGOT ALKALOIDS 214 SECTION IV *
STRUCTURE-ACTIVITY RELATIONS OF PEPTIDES + J.L. FAUCHERE NEW STRATEGIES
FOR THE DESIGN OF PEPTIDE DRUGS 221 + A.T. HAGLER, R.S. STRUTHERS, T.J.
SOLMAJER, K.B. CAMPBELL, G. TANAKA AND J. RIVIER CONFORMATIONALLY BASED
DESIGN OF GNRH ANTAGONISTS 231 + B. ROBSON COMPUTER-AIDED PEPTIDE AND
PROTEIN ENGINEERING 239 + E.F. MEYER, JR. AND W. BODE THE STUDY AND
DESIGN OF SPECIFIC INHIBITORS TO ELASTASE 247 S. HELLBERG, + M.
SJOSTROM, B. SKAGERBERG, C. WIKSTROM, AND S. WOLD PEPTIDE QSAR WITH
SIMCA AND PLS 255 V. PLISKA AND J. HEINIGER FREE-WILSON ANALYSIS OF
BIOLOGICALLY ACTIVE PEPTIDES: OXYTOCIN ANALOGUES ACTING AS UTEROTONIC
ANTAGONISTS 263 J. TOMASI EFFECTIVE AND PRACTICAL WAYS OF INTRODUCING
THE EFFECT OF THE SOLVENT IN THE THEORETICAL EVALUATION OF
CONFORMATIONAL PROPERTIES OF BIOMOLECULES 269 D. NISATO, J. WAGNON, G.
CALLET, D. METTEFEU, J.L. ASSENS, C. PLOUZANE, B. TONNERRE AND J.L.
FAUCHERE A QSAR STUDY OF NEW PENTAPEPTIDE RENIN INHIBITORS CONTAINING
THE CONSTANT FRAGMENT STATYL-ALANYL-STATINE 277 M. CHARTON AND B.I.
CHARTON QSAR FOR PEPTIDE BIOACTIVITIES. FURTHER STUDIES 285 M. CHARTON
QSAR FOR ENZYMATIC REACTIONS OF AMINO ACIDS AND THEIR DERIVATIVES 291 M.
CAMPILLO, S. FRAGA AND M. MARTIN STUDY OF 5 LEU-ENKEPHALIN AND THREE
ANALOGUES BY MEANS OF A SEMIEMPIRICAL METHOD BASED ON A R~ N EXPANSION
.....295 SECTION V * QSAR IN TOXICOLOGY AND NON-MEDICINAL AREAS R.L.
LIPNICK, C.S. PRITZKERAND D.L BENTLEY APPLICATION OF QSAR TO MODEL THE
ACUTE TOXICITY OF INDUSTRIAL ORGANIC CHEMICALS TO MAMMALS AND FISH 301
VIII J.C. DEARDEN AND R.M. NICHOLSON QSAR STUDY OF THE BIODEGRADABILITY
OF ENVIRONMENTAL POLLUTANTS 307 P.B. KONERU, E.J. LIEN AND R.T. KODA
DRUG-INDUCED OCULAR TOXICITIES: STRUCTURE-TOXICITY RELATIONSHIPS 313 W.
LAASS MULTIVARIATE DATA ANALYSIS AND PREDICTION OF BIOLOGICAL ACTIONS IN
CLINICAL PHARMACOLOGY 319 5. BALAZ, M. ROSENBERG, M. TICHY, E. STURDFK
AND J. AUGUSTIN KINETICS OF BIOLOGICAL ACTIVITIES. INHIBITION OF
RESPIRATION IN ESCHERICHIA COLI BY 2- FURYLETHYLENES 325 E.A. PEACE,
M.G. FORD, R. GREENWOOD AND D.W. SALT BINDING PROPERTIES AND
PHARMACOKINETICS OF PYRETHROIDS IN ADULT MUSTARD BEETLES (PHAEDON
COCHLEARIAE) 331 S. BUCKLEY, M.G. FORD, L.D. LEAKE, D.W. SALT, P.E.
BURT, M.D.V. MOSS, C.J. BREALEY AND D.J. LIVINGSTONE A
NEUROTOXICOLOGICAL INVESTIGATION OF THE ACTION OF SYNTHETIC PYRETHROID
INSECTICIDES AGAINST ADULT HOUSEFLIES MUSCA DOMESTICA L 336 I.B.
BERSUKER, A.S. DIMOGLO, M.YU. GORBACHOV, P.F. VLAD AND M.N. KOLTSA
STRUCTURAL AND ELECTRONIC ORIGIN OF ODOUR PROPERTIES OF ORGANIC
COMPOUNDS AS REVEALED BY THE ELECTRON-TOPOLOGIC APPROACH TO THE QSAR
PROBLEM 340 J. HERMENS AND J. DE BRUIJN A QSAR STUDY FOR FISH TOXICITY
DATA OF ORGANOPHOSPHORUS COMPOUNDS 343 R. BENIGNI AND A. GIULIANI
CARCINOGENICITY, MUTAGENICITY, TOXICITY AND CHEMICAL STRUCTURE IN A
HOMOGENEOUS DATA BASE 346 G.L. BIAGI, A.M. BARBARO, M.C. GUERRA, D.
ANDREOTTI AND G. CANTELLI-FORTI THE DEVELOPING CHICK EMBRYO AS AN
ALTERNATIVE MODEL IN TOXICITY TESTING: A QSAR APPROACH 349 J.W. DENEER,
T.L. SINNIGE AND J.L.M. HERMENS A QSAR STUDY OF FISH TOXICITY DATA OF
NITROAROMATIC COMPOUNDS 352 L.M. NILSSON, 0. STERNER, R.E. CARTER AND T.
LILJEFORS STRUCTURE-ACTIVITY RELATIONSHIPS FOR UNSATURATED DIALDEHYDES
355 M.L. TOSATO, D. CESAREO, L. PASSERINI AND S. CLEMENTI
CARCINOGENICITY ASSESSMENT BY PLS ANALYSIS OF SHORT-TERM GENOTOXICITY
DATA 358 M. NENDZA AND J.K. SEYDEL AN APPROACH TO MULTIREGRESSIONAL AND
MULTIVARIATE STRUCTURE-TOXICITY RELATIONSHIPS FOR ECOTOXICOLOGICALLY
RELEVANT BIOTESTSYSTEMS AND CHEMICALS 361 AUTHOR INDEX 365 SUBJECT INDEX
367 + INVITED LECTURES
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| indexdate | 2024-07-09T15:17:27Z |
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| series | Pharmacochemistry library |
| series2 | Pharmacochemistry library |
| spelling | Qsar in drug design and toxicology proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 ed. by Dušan Haďzi ... Amsterdam u.a. Elsevier 1987 X, 375 S. txt rdacontent n rdamedia nc rdacarrier Pharmacochemistry library 10 QSAR (DE-588)4205429-1 gnd rswk-swf Toxikologie (DE-588)4060538-3 gnd rswk-swf Arzneimittelentwicklung (DE-588)4143176-5 gnd rswk-swf (DE-588)1071861417 Konferenzschrift 1986 Portorož gnd-content QSAR (DE-588)4205429-1 s Arzneimittelentwicklung (DE-588)4143176-5 s DE-604 Toxikologie (DE-588)4060538-3 s Hadži, Dušan Sonstige oth European Symposium on Quantitative Structure Activity Relationships 6 1986 Portorož Sonstige (DE-588)805287-6 oth Pharmacochemistry library 10 (DE-604)BV001899371 10 GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=000414898&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Qsar in drug design and toxicology proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 Pharmacochemistry library QSAR (DE-588)4205429-1 gnd Toxikologie (DE-588)4060538-3 gnd Arzneimittelentwicklung (DE-588)4143176-5 gnd |
| subject_GND | (DE-588)4205429-1 (DE-588)4060538-3 (DE-588)4143176-5 (DE-588)1071861417 |
| title | Qsar in drug design and toxicology proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 |
| title_auth | Qsar in drug design and toxicology proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 |
| title_exact_search | Qsar in drug design and toxicology proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 |
| title_full | Qsar in drug design and toxicology proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 ed. by Dušan Haďzi ... |
| title_fullStr | Qsar in drug design and toxicology proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 ed. by Dušan Haďzi ... |
| title_full_unstemmed | Qsar in drug design and toxicology proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 ed. by Dušan Haďzi ... |
| title_short | Qsar in drug design and toxicology |
| title_sort | qsar in drug design and toxicology proceedings of the 6 europ symposium on quantitative structure activity relationships pororoz portorose yugoslavia 22 26 sept 1986 |
| title_sub | proceedings of the 6. Europ. Symposium on Quantitative Structure-Activity Relationships, Pororož-Portorose (Yugoslavia), 22 - 26 Sept., 1986 |
| topic | QSAR (DE-588)4205429-1 gnd Toxikologie (DE-588)4060538-3 gnd Arzneimittelentwicklung (DE-588)4143176-5 gnd |
| topic_facet | QSAR Toxikologie Arzneimittelentwicklung Konferenzschrift 1986 Portorož |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=000414898&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV001899371 |
| work_keys_str_mv | AT hadžidusan qsarindrugdesignandtoxicologyproceedingsofthe6europsymposiumonquantitativestructureactivityrelationshipspororozportoroseyugoslavia2226sept1986 AT europeansymposiumonquantitativestructureactivityrelationshipsportoroz qsarindrugdesignandtoxicologyproceedingsofthe6europsymposiumonquantitativestructureactivityrelationshipspororozportoroseyugoslavia2226sept1986 |