03588nam 2200649Ia 450 991078425190332120230827225433.01-280-81056-497866108105671-4294-6772-X1-60750-219-4600-00-0604-71-4337-0155-3(CKB)1000000000340132(EBL)287003(OCoLC)437176685(SSID)ssj0000267733(PQKBManifestationID)11195663(PQKBTitleCode)TC0000267733(PQKBWorkID)10211843(PQKB)10057265(MiAaPQ)EBC287003(Au-PeEL)EBL287003(CaPaEBR)ebr10167400(CaONFJC)MIL81056(EXLCZ)99100000000034013220061115d2006 uy 0engur|n|---|||||txtccrVirtual ADMET assessment in target selection and maturation[electronic resource] /edited by B. Testa and L. TurskiAmsterdam ;Washington, DC IOS Pressc20061 online resource (268 p.)Solvay Pharmaceuticals Conferences ;v. 6Organized May 11-13th, 2005 in Lucerne, Switzerland.1-58603-703-X Includes bibliographical references and index.Preface; List of Contributors; Contents; Conference Preface; The Risky Business of Developing Drugs; Benefits and Limits of in Silico Predictions; Musings on ADME Predictions and Molecular Structure; Lipophilicity: Its Calculation and Application in ADMET Predictions; Interpretation of the Role of the Electrotopological State and Molecular Connectivity Indices in the Prediction of Physical Properties and ADME-Tox Behavior - Case Study: Human Plasma Protein Binding; Molecular Descriptors for Predicting ADMET Properties; Molecular Fields to Assess Recognition Forces and Property SpacesExtracting Pharmacophores from Bio-Active MoleculesIn Silico Models for Human Bioavailability; In Silico Models to Predict Brain Uptake; Algorithms to Predict Affinity for Transporters; Predicting Affinity for and Metabolism by Cytochromes P450; Expert Systems to Predict Biotransformation; Expert Systems to Predict Toxicity; From in Vivo to in Vitro/in Silico ADME: Progress and Challenges; Author IndexToday, biologists and medicinal chemists realize that there is a strong relationship between pharmacodynamic (what the drug does to the organism) and pharmacokinetic (what the organism does to the drug) effects. A significant contributing factor to the evolution in drug discovery was the methodological and technological revolution with the advent of combinatorial chemistry, high-throughput screening and profiling, and in silico prediction of target-based activity and ADMET (absorption, distribution, metabolism, excretion and toxicity) properties. High-throughput screening and in silico methodsSolvay Pharmaceuticals Conferences ;v. 6.Drug developmentComputer simulationCongressesPharmacologyDrug developmentComputer simulationPharmacology.615/.190285Testa Bernard290760Turski Lechoslaw1539393MiAaPQMiAaPQMiAaPQBOOK9910784251903321Virtual ADMET assessment in target selection and maturation3790287UNINA01039nam2 22002771i 450 UON0042490420231205104842.95120130520d1947 |0itac50 bafreFR|||| 1||||2Paul GuthParisCorreac1947- 331 p.19 cm.001UON004249012001 Quarante contre unPaul Guth205 Paris : Correac1947- 210 3v.19 cm215 Posseduti solo i primi due volumi.2Letteratura franceseUONC068889FIFRParisUONL002984843NARRATIVA FRANCESE21GUTHPaulUONV196868131830CorrêaUONV271336650ITSOL20250627RICASIBA - SISTEMA BIBLIOTECARIO DI ATENEOUONSIUON00424904SIBA - SISTEMA BIBLIOTECARIO DI ATENEOSI VI C 071 SI MR 34891/3 5 071 Buono21185005UNIOR