Introduction
1995; Wiley; Linguagem: Inglês
10.1002/9783527615452.ch1
ISSN1865-0562
Autores Tópico(s)Plant biochemistry and biosynthesis
ResumoChapter 1 Introduction Han van de Waterbeemd, Han van de WaterbeemdSearch for more papers by this author Han van de Waterbeemd, Han van de WaterbeemdSearch for more papers by this author Book Editor(s):Dr. Han van de Waterbeemd, Dr. Han van de Waterbeemd F. Hoffmann - La Roche Ltd., Pharma Research New Technologies, CH-4002 Basel, SwitzerlandSearch for more papers by this author First published: 09 February 1995 https://doi.org/10.1002/9783527615452.ch1Citations: 8Book Series:Methods and Principles in Medicinal Chemistry AboutPDFPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShareShare a linkShare onEmailFacebookTwitterLinkedInRedditWechat Summary This chapter contains sections titled: Quantitative Molecular Design Chemometrics The Hansch Approach Modern Chemometric Approaches in Molecular Design Software References SpilkerB., Multinational Drug Companies. Issues in Drug Discovery and Development,Raven Press,New York,1989 Google Scholar van de WaterbeemdH.,Quant. Struct.-Act. Relat.1992 11, 200204 10.1002/qsar.19920110215 CASWeb of Science®Google Scholar van de WaterbeemdH.,Drug Des. Disc.1993 9, 277285 PubMedGoogle Scholar HanschC.,MaloneyP.P.,FujitaT., andMuirR.M.,Nature1962 194, 178180 10.1038/194178b0 CASWeb of Science®Google Scholar PurcellW.P.,BassG.E., andClaytonJ.M., Strategy in Drug Design: A Guide to Biological Activity,Wiley,New York,1973 Google Scholar R.F. Gould, ed., Biological Correlations — The Hansch Approach, (Adv. Chem. Series 114,American Chemical Society, Washington,1972 Google Scholar KubinyiH., R. Mannhold P. Krogsgaard-Larsen H. Timmerman, eds.1993 QSAR: Hansch Analysis and Related Approaches. Methods and Principles in Medicinal Chemistry,Vol. 1, VCH, Weinheim, 10.1002/9783527616824 Web of Science®Google Scholar TestaB., andKierL.B.,Med. Res. Revs.1991 11, 3548 10.1002/med.2610110104 CASPubMedWeb of Science®Google Scholar DammkoehlerR.A.,KarasekS.F.,ShandsE.F. B., andMarshallG.R.,J. Comp.-Aided Mol. Des.1989 3, 321 10.1007/BF01590992 CASPubMedWeb of Science®Google Scholar MassartD.L.,VandeginsteB.G. M.,DemingS.N.,MichotteY., andKaufmanL., Chemometries: A Textbook.,Elsevier,Amsterdam,1988 Google Scholar DelaneyM.F.,Anal. Chem.1984 56, 261R277R 10.1021/ac00269a021 CASGoogle Scholar BrownS.D.,BarkerT.Q.,LariveeR.J.,MonfreS.L., andWilkH.R.,Anal. Chem.1988 60, 252R273R 10.1021/ac00163a018 CASGoogle Scholar BrownS.D.,Anal. Chem.1990 62, 84R101R 10.1021/ac00211a008 CASPubMedGoogle Scholar BerridgeJ.C.,Anal. Chim. Acta1989 223, 149159 10.1016/S0003-2670(00)84080-5 Web of Science®Google Scholar KatemanG.,Anal. Chim. Acta1986 191, 125131 10.1016/S0003-2670(00)86302-3 CASWeb of Science®Google Scholar ToplissJ.G., ed., Quantitative Structure-Activity Relationships of Drugs,Academic Press,New York,1983 Google Scholar StuperA.J.,BrüggerW.E., andJursP.C., Computer-Assisted Studies of Chemical Structure and Biological Function,John Wiley,New York,1979 Google Scholar MartinY.C., Quantitative Drug Design. A Critical Introduction,Marcel Dekker,New York,1978 Google Scholar DevillersJ., andKarcherW., ed., Applied Multivariate Analysis in SAR and Environmental Studies,Kluwer Academic Publishers,Dordrecht,1991 10.1007/978-94-011-3198-8 Google Scholar TuteM.S., C. Hansch P.G. Sammes, and J.B. Taylor, eds. History and Objectives of Quantitative Drug Design.In: Quantitative Drug Design (Comprehensive Medicinal Chemistry,Vol. IV),Pergamon Press, Oxford (1990)p. 1–31 Google Scholar LivingstoneD.J., R.I. Zalewski T.M. Krygowski J. Shorter, eds. Quantitative Structure-Activity RelationshipsIn: Similarity Models in Organic Chemistry, Biochemistry and Related Fields,Elsevier,Amsterdam, (1991)p. 557–627 Google Scholar LivingstoneD.J., J.J. Langone, ed. Pattern Recognition Methods in Rational Drug Design.In: Molecular Design and Modelling, Concepts and Applications. Methods in Enzymology,Vol. 203,Academic Press, London (1991)p. 613–638 Google Scholar WoldS., andDunnW.J.,J. Chem. Inf. Comput. Sci.1983 23, 613 10.1021/ci00037a002 CASWeb of Science®Google Scholar DunnW.J.,and WoldS., C. Hansch P.G. Sammes, and J.B. Taylor, eds. Pattern Recognition Techniques in Drug Design.In: Comprehensive Medicinal Chemistry,Vol. 4,Pergamon Press, Oxford (1990)p. 691–714 Google Scholar SaltD.W.,YildizN.,LivingstoneD.J., andTinsleyC.J.,Pestic. Sci.1992 36, 161170 10.1002/ps.2780360212 CASWeb of Science®Google Scholar MiyashitaY.,LiZ., andSasakiS.,Trends Anal. Chem.1993 12, 5060 10.1016/0165-9936(93)87051-X CASWeb of Science®Google Scholar WorldS., andDunnW.J.,J. Chem. Inf. Comput. Sci.1983 23, 613 10.1021/ci00037a002 Web of Science®Google Scholar HanschC.,Acc. Chem. Res.1993 26, 147153 10.1021/ar00028a003 CASWeb of Science®Google Scholar van de Waterbeemd, J. Th. M., andJansenA.C. A.,Pharm. Weekbl. Sci. Ed.1981 3, 7178 Google Scholar van de WaterbeemdH., andTestaB.,Adv. Drug Res.1987 16, 85225 CASGoogle Scholar MagerH., andBarthA.,Pharmazie1979 34, 557559 CASPubMedWeb of Science®Google Scholar WoldS.,JohanssonE.,and CocchiM., H. Kubinyi, ed., PLS — Partial Least Squares Projections To Latent Structures.In: 3D QSAR in Drug Design. Theory, Methods and Applications.Escom Leiden (1993)p. 523–550 Google Scholar KubinyiH., andAbrahamU., H. Kubinyi, ed. Practical problems in PLS Analyses.In: 3D QSAR in Drug Design. Theory, Methods and Applications,Escom,Leiden, (1993)p. 717–728 Google Scholar BushB.L., andNachbarR.B.,J. Comput.-Aided Mol. Design1993 7, 587619 10.1007/BF00124364 CASPubMedWeb of Science®Google Scholar H. Kubinyi ed., 3D QSAR in Drug Design. Theory, Methods and Applications,Escom,Leiden,1993 Web of Science®Google Scholar CarlsonR., andNordallA.,Topics Curr. Chem.1993 166, 164 10.1007/BFb0111460 CASWeb of Science®Google Scholar KlopmanG., andKalosA.N.,J. Comput. Chem.1985 6, 492506 10.1002/jcc.540060520 CASWeb of Science®Google Scholar DevillersJ.,ZakarayaS.,ChastretteM., andDoré, J. C.,Biomed. Environm. Sci.1989 2, 385393 CASPubMedGoogle Scholar ZalewskiR.I.,KrygiwskyT.M., andShortermJ., eds., Similarity Models in Organic Chemistry, Biochemistry and Related Fields,Elsevier,Amsterdam,1991 Google Scholar JohnsonM.A., andMaggioraG.M., eds., Concepts and Applications of Molecular Similarity,Wiley,New York,1990 Google Scholar DemingS.N., andMorganS.L., Experimental Design: A Chemometric Approach,Elsevier,Amsterdam,1993 Google Scholar WaltersF.H.,ParkerL.R.,MorganS.L., andDemingS.N., Sequential Simplex Optimization: A Technique for Improving Quality and Productivity in Research, Development and Manufacturing,CRF Press Inc.,Boca Raton,1991 Google Scholar MagerP.P., Design Statistics in Pharmacochemistry,Research Studies Press & John Wiley,Chichester,1991 Google Scholar WermuthC.G.,KogaN.,KönigH., andMetcalfB.W., Medicinal Chemistry for the 21st Century,Blackwell Scientific,Oxford,1992 Google Scholar LivingstoneD.J., Data Analysis for Chemists — Application to QSAR and Product Design,Oxford University Press,Oxford,1994 Google Scholar C.G. Wermuth, ed., The Practice of Medicinal Chemistry1994), in preparation Google Scholar BoydD.B.,J. Med. Chem.1993 36, 14431449 10.1021/jm00062a017 CASPubMedWeb of Science®Google Scholar Sortware for Science, SciTech International Onc., Bailiwick Court Building, 2231 N. Clybourn Ave. Chicago, IL 60614-3011, USA Google Scholar EFMC Newsletter,Timmerman Prof. H.Free University of Amsterdam, Google Scholar International QSAR Society Newsletter,Block Prof. J.Oregon State University, Google Scholar ADAPT,Jurs, Prof. P. C.PennState University, University Park, PA 16802, USA Google Scholar APEX,Biosym, 9685 Scranton Road, San Diego, CA 92121-2777, USA Google Scholar ARTHUR,Informetrix Inc., 2200 Sixth Avenue, Suite 833, Seattle, Washington 98121, USA Google Scholar ASP,OML, Oxford Molecular Ltd., The Magdalen Centre, Oxford Science Park, Sandford-on-Thames, Oxford OX4 4GA, UK Google Scholar BIOSOFT,49 Bateman Street, Cambridge, CB2 1LR, UK Google Scholar BMDP Statistical Software,University of California Press, Berkeley, CA, USA Google Scholar CATALYST,BioCad Corp., Mountainview, CA, USA Google Scholar CHEMX,CDL (Chemical Design Ltd.), Oxford, UK Google Scholar CLOGP,Daylight CIS, 18500 Von Karman Ave 450, Irvine, CA 92715, USA and BioByte Corp., PO Box 517, Claremont, CA 91711-0517, USA Google Scholar CLUST AN,Kingsburgh Road 16, Edinburgh EH12 6DZ, Scotland Google Scholar C-QSAR,BioByte Corp.m PO Box 517, Claremont, CA 91711-0517, USA Google Scholar EXCEL, Microsoft Google Scholar GENSTAT, deveoped by the Statistics Department of Rothampsted Experimental Station, and distributed by Numerical Algorithms Groups. Ltd., Mayfield House, 256 Banbury Road, Oxford, OX2 7DE, UK Google Scholar GOLPE,Tripos Associates Inc., St Louis, MO 63144-2913, USA and MIA, Via Gigliarelli 203/207, 1-08124 Perugia, Italy Google Scholar GRAFTOOL,3-D Visions Corp., 2780 Skypark Drive, Torrance, CA 90505, USA Google Scholar HYPERCHEM,Autodesk Inc., 2320 Marinship Way, Sausalito, CA 94965, USA Google Scholar JMP,from SAS Institute Inc. Google Scholar MACSPIN,D2 Software Inc., P.O. Box 50052, Austin, TX 78763, USA Google Scholar MINITAB Google Scholar MOLCONN-X,Hall Associates Consulting, Quincy, MA 02170, USA Google Scholar MULTISTAT,Biosoft, 49 Bateman Street, Cambridge, CB2 1LR, UK Google Scholar NCSS Google Scholar PARVUS,Elsevier Scientific Software, Amsterdam Google Scholar PCMODELS,Daylight CIS, 18500 Von Karman Ave 450, Irviné, CA 92715, USA Google Scholar PIROUETTE,Informetrix Inc., 2200 Sixth Avenue, Suite 833, Seattle, Washington 98121, USA Google Scholar POLARIS,Molecular Simulations Inc., 200 Fifth Avenue, Waltham, MA 02154, USA Google Scholar PROLOGP,Compudrug Chemistry Ltd., PO Box 405, H-1395 Budapest, Hungary Google Scholar PSTAT Google Scholar QUATTRO-PRO,Borland Google Scholar QSAR,BioByte Corp., PO Box 517, Claremont, CA 91711-0517, USA Google Scholar QSAR-PC,Biosoft, 49 Bateman Street, Cambridge, CB2 1LR, UK Google Scholar RECEPTOR,MSI (Molecular Simulations Inc.), 200 Fifth Avenue, Waltham, MA 02154, USA Google Scholar RS/1,BBN Software Products Corp., 10 Fawcett Street, Cambridge, MA 02238, USA Google Scholar SAS,SAS Institute Inc., Box 8000, Cary, NC 27511, USA Google Scholar SIGMAPLOT,Jandel Scientific, 2591 Kerner Blvd., San Rafael, CA 94901, USA Google Scholar SIMCA,Umetri AB, PO Box 1456, S-90124 Umea, Sweden Google Scholar SPSS,SPSS Inc., 444 North Michingan Avenue, Chicago, IL, USA Google Scholar STATA Google Scholar STATISTICA,Statsoft, 2325 E. 13 St., Tulsa, OK 74104, USA Google Scholar STATlab,Slp Statistiques, 51/59 Rue Ledru-Rollin, F-94853 Ivry, France Google Scholar TSAR,OML, Oxford Molecular Ltd., The Magdalen Centre, Oxford Science Park, Sandford-on-Thames, Oxford OX4 4GA, UK Google Scholar STATGRAPHICS,Statgraphics Inc., 2115 East Jefferson Street, Rockville, MD 20852, USA Google Scholar SYBYL-COMFA,Tripos Associates Inc., St Louis, MO 63144-2913, USA Google Scholar SYBYL-QSAR,Tripos Associates Inc. St Louis, MO 63144-2913 USA Google Scholar SYSTAT,Systat Inc. 1800 Sherman Avenue, Evanston, IL 60201 USA Google Scholar UNSCRAMBLER,Camo AS, Jarleveien 4, N-7041 Trondheim, Norway Google Scholar van de WaterbeemdH., R. Mannhold P. Krogsgaard-Larsen H. Timmerman, eds.1995 ed., Advanced Computer-Assisted Techniques in Drug Discovery. Methods and Principles in Medicinal Chemistry,Vol. 3, VCH, Weinheim, Google Scholar Scientific Software Catalog for the PC and Macintosh,Europa Scientific Software Corporation es2c 14 Clinton Drive, Hollis, NH 03049 USA Google Scholar ToplissJ.G.,Perspect. Drug Disc. Des.1993 1, 253268 10.1007/BF02174527 CASGoogle Scholar CramerR.D.,Perspect. Drug Disc. Des.1993 1, 269278 10.1007/BF02174528 CASGoogle Scholar Citing Literature Chemometric Methods in Molecular Design ReferencesRelatedInformation
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