LEADER 02052nam 2200601 a 450 001 9910457362603321 005 20200520144314.0 010 $a1-62100-237-3 035 $a(CKB)2550000000058484 035 $a(EBL)3021923 035 $a(SSID)ssj0000570085 035 $a(PQKBManifestationID)12162337 035 $a(PQKBTitleCode)TC0000570085 035 $a(PQKBWorkID)10587082 035 $a(PQKB)11427182 035 $a(MiAaPQ)EBC3021923 035 $a(Au-PeEL)EBL3021923 035 $a(CaPaEBR)ebr10686246 035 $a(OCoLC)757395191 035 $a(EXLCZ)992550000000058484 100 $a20100506d2012 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aSynthesis and engineering of nanostructures by energetic ions$b[electronic resource] /$fDevesh Kumar Avasthi and Jean Claude Pivin, editors 210 $aNew York $cNova Science Publishers, Inc.$dc2012 215 $a1 online resource (390 p.) 225 1 $aNanotechnology science and technology 225 1 $aNovinka 300 $aDescription based upon print version of record. 311 $a1-61668-209-4 320 $aIncludes bibliographical references and index. 410 0$aNanotechnology science and technology series. 410 0$aNovinka (Series) 606 $aNanostructured materials$xDesign and construction 606 $aNanostructures$xDesign and construction 606 $aIon bombardment$xIndustrial applications 608 $aElectronic books. 615 0$aNanostructured materials$xDesign and construction. 615 0$aNanostructures$xDesign and construction. 615 0$aIon bombardment$xIndustrial applications. 676 $a620/.5 701 $aAvasthi$b Devesh Kumar$0943066 701 $aPivin$b Jean Claude$0943067 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910457362603321 996 $aSynthesis and engineering of nanostructures by energetic ions$92128134 997 $aUNINA LEADER 05299nam 2200649Ia 450 001 9911019461903321 005 20200520144314.0 010 $a1-280-59122-6 010 $a9786613621054 010 $a0-470-91509-9 010 $a0-470-91511-0 035 $a(CKB)3400000000000281 035 $a(EBL)698845 035 $a(OCoLC)695561347 035 $a(SSID)ssj0000550563 035 $a(PQKBManifestationID)11341225 035 $a(PQKBTitleCode)TC0000550563 035 $a(PQKBWorkID)10509126 035 $a(PQKB)10906858 035 $a(MiAaPQ)EBC698845 035 $a(PPN)237853906 035 $a(EXLCZ)993400000000000281 100 $a20150211d2011 ay 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aADMET for medicinal chemists $ea practical guide /$fedited by Katya Tsaioun, Steven A. Kates 210 $aHoboken, N.J. $cJohn Wiley & Sons$dc2011 215 $a1 online resource (524 p.) 300 $aDescription based upon print version of record. 311 $a0-470-48407-1 320 $aIncludes bibliographical references and index. 327 $aADMET for Medicinal Chemists: A Practical Guide; CONTENTS; Preface; Contributors; 1 Introduction; 1.1 Introduction; 1.2 Voyage Through The Digestive System; 1.2.1 The Mouth; 1.2.2 The Stomach; 1.2.3 The Small Intestine: Duodenum; 1.2.4 The Small and Large Intestine: Jejunum, Ileum, Colon; 1.2.5 Hepatic-Portal Vein; 1.3 The Liver Metabolism; 1.3.1 CYP450 (CYPs); 1.4 The Kidneys; 1.4.1 Active Tubular Secretion; 1.4.2 Passive Tubular Reabsorption; 1.5 Conclusions; References; 2 In Silico ADME/Tox Predictions; 2.1 Introduction; 2.2 Key Computer Methods for ADME/Tox Predictions 327 $a2.2.1 Drug Discovery2.2.2 Applying or Not ADME/Tox Predictions, Divided Opinions; 2.2.3 In Silico ADME/Tox Methods and Modeling Approaches; 2.2.4 Physicochemistry, Pharmacokinetics, Drug-Like and Lead-Like Concepts; 2.2.5 Lipophilicity; 2.2.6 pKa; 2.2.7 Transport Proteins; 2.2.8 Plasma Protein Binding; 2.2.9 Metabolism; 2.2.10 Elimination; 2.2.11 Toxicity; 2.3 Preparation of Compound Collections and Computer Programs, Challenging ADME/Tox Predictions and Statistical Methods; 2.3.1 Preparation of Compound Collections and Computer Programs 327 $a2.3.2 Preparing a Compound Collection: Materials and Methods2.3.3 Cleaning and Designing the Compound Collection; 2.3.4 Searching for Similarity; 2.3.5 Generating 3D Structures; 2.4 ADME/Tox Predictions within Pharmaceutics Companies; 2.4.1 Actelion Pharmaceuticals Ltd.; 2.4.2 Bayer; 2.4.3 Bristol-Myers Squibb; 2.4.4 Hoffmann-La Roche Ltd.; 2.4.5 Neurogen Corporation; 2.4.6 Novartis; 2.4.7 Schering AG; 2.4.8 Vertex Pharmaceuticals; 2.5 Challenging ADME/Tox Predictions; 2.5.1 Tolcapone; 2.5.2 Factor V Inhibitors; 2.5.3 CRF-1 Receptor Antagonists; 2.6 Statistical Methods 327 $a2.6.1 Principal Component Analysis2.6.2 Partial Least Square; 2.6.3 Support Vector Machine; 2.6.4 Decision Trees; 2.6.5 Neural Networks; 2.7 Conclusions; References; 3 Absorption and Physicochemical Properties of the NCE; 3.1. Introduction; 3.2. Physicochemical Properties; 3.3. Stability; 3.4. Dissolution and Solubility; 3.4.1. Dissolution Rate, Particle Size, and Solubility; 3.4.2. pH and Salts; 3.4.3. In Vivo Solubilization; 3.5. Solid State; References; 4 ADME; 4.1 Introduction; 4.2 Absorption; 4.2.1 Route of Administration; 4.2.2 Factors Determining Oral Bioavailability; 4.3 Distribution 327 $a4.3.1 Drug Distribution4.3.2 Volume of Distribution; 4.3.3 Free Drug Concentration; 4.3.4 CNS Penetration; 4.4 Elimination; 4.4.1 Elimination Versus Clearance; 4.4.2 Metabolism Versus Excretion; 4.4.3 Drug-Free Fraction and Clearance; 4.4.4 Lipophilicity and Clearance; 4.4.5 Transporters and Clearance; 4.4.6 Metabolism; 4.4.7 Excretion; 4.5 Drug Interactions; 4.5.1 Absorption-Driven DDI; 4.5.2 Distribution-Driven DDI; 4.5.3 Excretion-Driven DDI; 4.5.4 Metabolism-Driven DDI; 4.5.5 Tools for Studying Drug Metabolism; 4.5.6 Applications of Drug Metabolism Tools 327 $a4.5.7 Tools for Studying Drug Excretion 330 $aThis book guides medicinal chemists in how to implement early ADMET testing in their workflow in order to improve both the speed and efficiency of their efforts. Although many pharmaceutical companies have dedicated groups directly interfacing with drug discovery, the scientific principles and strategies are practiced in a variety of different ways. This book answers the need to regularize the drug discovery interface; it defines and reviews the field of ADME for medicinal chemists. In addition, the scientific principles and the tools utilized by ADME scientists in a discovery setting, as appl 517 1 $aAbsorption, distribution, metabolism, excretion, toxicity for medical chemists 606 $aDrugs$xTesting 606 $aDrugs$xDesign 615 0$aDrugs$xTesting. 615 0$aDrugs$xDesign. 676 $a615.19 676 $a615/.19 701 $aKates$b Steven A.$f1961-$01838285 701 $aTsaioun$b Katya$01838286 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9911019461903321 996 $aADMET for medicinal chemists$94417253 997 $aUNINA