LEADER 00754nam a2200217 i 4500 001 991003855569707536 005 20020506105714.0 008 991011s1959 fr ||| | fre 035 $ab10564068-39ule_inst 035 $aEXGIL128017$9ExL 040 $aBiblioteca Interfacoltà$bita 100 1 $aLambert, Elie$0214674 245 13$aLe pelerinage de Compostelle 260 $aToulouse :$bPrivat,$c1959 300 $a184 p. ;$c24 cm. 907 $a.b10564068$b02-04-14$c27-06-02 912 $a991003855569707536 945 $aLE002 Fondo Giudici A 869$g1$iLE002G-2291$lle002$o-$pE0.00$q-$rn$so $t0$u0$v0$w0$x0$y.i10646942$z27-06-02 996 $aPelerinage de Compostelle$9235849 997 $aUNISALENTO 998 $ale002$b01-01-99$cm$da $e-$ffre$gfr $h3$i1 LEADER 01062nam0 22002531i 450 001 UON00036127 005 20231205102123.605 100 $a20020107d1989 |0itac50 ba 101 $arus 102 $aSU 105 $a|||| 1|||| 200 1 $aTadzikskie poslovicy i pogovorki$fB. Tilavov. - Dusanbe$eDonis, 1989 230 p. ; 22 cm 410 1$1001UON00036126$12001 $aOpyt Kolicestvennogo Analiza Tadzikskogo Fol'klora$v2 606 $aLETTERATURA POPOLARE$xASIA CENTRALE (TAGIKISTAN)$3UONC012009$2FI 620 $aTJ$dDushanbe$3UONL000247 686 $aAC VI AD$cASIA CENTRALE - LETTERATURA IRANICA POPOLARE$2A 700 1$aTILAVOV$bB.$3UONV023233$0646713 712 $aDonis$3UONV247769$4650 801 $aIT$bSOL$c20240220$gRICA 899 $aSIBA - SISTEMA BIBLIOTECARIO DI ATENEO$2UONSI 912 $aUON00036127 950 $aSIBA - SISTEMA BIBLIOTECARIO DI ATENEO$dSI AC VI AD 012 $eSI SA 65188 5 012 996 $aTadzikskie poslovicy i pogovorki$91194484 997 $aUNIOR LEADER 05658nam 2200733Ia 450 001 9911019502003321 005 20200520144314.0 010 $a9786611842888 010 $a9781281842886 010 $a1281842885 010 $a9783527615674 010 $a3527615679 010 $a9783527615667 010 $a3527615660 035 $a(CKB)1000000000552489 035 $a(EBL)481384 035 $a(SSID)ssj0000097642 035 $a(PQKBManifestationID)11130869 035 $a(PQKBTitleCode)TC0000097642 035 $a(PQKBWorkID)10119879 035 $a(PQKB)11699598 035 $a(MiAaPQ)EBC481384 035 $a(OCoLC)214281307 035 $a(Perlego)2750115 035 $a(EXLCZ)991000000000552489 100 $a19941020d1995 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aAdvanced computer-assisted techniques in drug discovery /$fedited by Han van de Waterbeemd 210 $aWeinheim ;$aNew York $cVCH$dc1995 215 $a1 online resource (367 p.) 225 1 $aMethods and principles in medicinal chemistry ;$vv. 3 300 $aDescription based upon print version of record. 311 08$a9783527292486 311 08$a3527292489 320 $aIncludes bibliographical references and index. 327 $aAdvanced Computer- Assisted Techniques in Drug Discovery; Preface; A Personal Foreword; Contents; 1 Introduction; 1.1 3D QSAR; 1.2 Databases; 1.3 Progress in Multivariate Data Analysis; 1.4 Scope of this Book; References; 2 3D QSAR: The Integration of QSAR with Molecular Modeling; 2.1 Chemometrics and Molecular Modeling; 2.1.1 Introduction; 2.1.2 QSAR Methodology using Molecular Modeling and Chemometrics; 2.1.2.1 Search for the Geometric Pharmacophore; 2.1.2.2 Quantitative Correlation between Molecular Properties and Activity; 2.1.2.3 Computer Programs; 2.1.3 Illustrative Examples 327 $a2.1.3.1 Amnesia-Reversal Compounds2.1.3.2 Non-Peptide Angiotensin II Receptor Antagonists; 2.1.3.3 HMG-CoA Reductase Inhibitors; 2.1.3.4 Antagonists at the 5-HT3 Receptor; 2.1.3.5 Polychlorinated Dibenzo-p-dioxins; 2.1.4 Conclusions; References; 2.2 3D QSAR Methods; 2.2.1 Introduction; 2.2.2 3D QSAR of a Series of Calcium Channel Agonists; 2.2.2.1 Molecular Alignment; 2.2.2.2 Charges; 2.2.2.3 Generating 3D Fields; 2.2.2.4 Compilation of GRID Maps; 2.2.2.5 Inclusion of Macroscopic Descriptors with 3D Field Data; 2.2.3 Statistical Analysis; 2.2.3.1 Results of the Analysis 327 $a2.2.3.2 Testing the Model2.2.4 Conclusions; References; 2.3 GOLPE Philosophy and Applications in 3D QSAR; 2.3.1 Introduction; 2.3.1.1 3D Molecular Descriptors and Chemometric Tools; 2.3.1.2 Unfolding Three-way Matrices; 2.3.2 The GOLPE Philosophy; 2.3.2.1 Variable Selection; 2.3.3 Applications; 2.3.3.1 PCA on the Target Matrix; 2.3.3.2 PCA on the Probe Matrix; 2.3.3.3 PLS Analysis on the Target Matrix; 2.3.3.4 PLS on Target Matrix as a Strategy to Ascertain the Active Conformation; 2.3.3.5 GOLPE with Different 3D Descriptors; 2.3.4 Conclusions and Perspectives; References 327 $a3 Rational Use of Chemical and Sequence Databases3.1 Molecular Similarity Analysis: Applications in Drug Discovery; 3.1.1 Introduction; 3.1.2 Similarity-Based Compound Selection; 3.1.2.1 Similarity Measures and Neighborhoods; 3.1.2.2 Application of 2D and 3D Similarity Measures; 3.1.2.3 Application of Dissimilarity-Based Compound Selection for Broad Screening; 3.1.3 Structure-Activity Maps (SAMs); 3.1.3.1 A Visual Analogy; 3.1.3.2 Representing Inter-Structure Distances; 3.1.3.3 Structure Maps; 3.1.3.4 Coloring a Structure Map; 3.1.4 Field-Based Similarity Methods 327 $a3.1.4.1 Field-Based Similarity Measures3.1.4.2 Field-Based Molecular Superpositions; 3.1.4.3 An Example of Field-Based Fitting: Morphine and Clonidine; 3.1.5 Conclusions; References; 3.2 Clustering of Chemical Structure Databases for Compound Selection; 3.2.1 Introduction; 3.2.2 Review of Clustering Methods; 3.2.2.1 Hierarchical Clustering Methods; 3.2.2.2 Non-Hierarchical Clustering Methods; 3.2.3 Choice of Clustering Method; 3.2.3.1 Computational Requirements; 3.2.3.2 Cluster Shapes; 3.2.3.3 Comparative Studies 327 $a3.2.4 Examples of the Selection of Compounds from Databases by Clustering Techniques 330 $aThe use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The emphasis is on showing users how to apply these methods and avoid costly and time-consuming methodical errors.Topics covered include* combination of statistical methods and molecular modeling tools* rational use of databases* advanced statistical techniques* neural networks and expert systems in molecular design