Articoli correlati a Recent Advances in QSAR Studies: Methods and Applications:...
Sinossi
This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.
Le informazioni nella sezione "Riassunto" possono far riferimento a edizioni diverse di questo titolo.
Dalla quarta di copertina
Recent Advances in QSAR Studies: Methods and Applications presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experienced lecturers. It focuses on methodology and new ideas, providing readers with an idea of recent trends and developments in each part of QSAR strategy (descriptors, methods of modelling, validation). The second part of this volume highlights the interdisciplinary aspects and new areas of QSAR modelling. It outlines the theoretical framework together with practical applications. The most optimal solutions (descriptors, mathematical/statistical methods, validation) in the individual areas of interest (environmental risk assessment, drug design, etc.) are also discussed in more detail.
Recent Advances in QSAR Studies: Methods and Applications is targeted at scientists who are focussed on developing new methodologies as well as researchers who are engaged in trying to solve specific problems via QSAR. Additionally, this volume should serve as an essential reference to promote interactions between members of the academic community and industry.
Le informazioni nella sezione "Su questo libro" possono far riferimento a edizioni diverse di questo titolo.
Compra nuovo
Visualizza questo articolo
EUR 203,75
EUR 3,42 per la spedizione in U.S.A.
Destinazione, tempi e costiAltre edizioni note dello stesso titolo
Risultati della ricerca per Recent Advances in QSAR Studies: Methods and Applications:...
Foto dell'editore
Recent Advances in QSAR Studies: Methods and Applications (Challenges and Advances in Computational Chemistry and Physics, 8)
Da: Lucky's Textbooks, Dallas, TX, U.S.A.
Valutazione del venditore 5 su 5 stelle
Condizione: New. Codice articolo ABLIING23Apr0412070049964
Quantità: Più di 20 disponibili
Immagini fornite dal venditore
Recent Advances in Qsar Studies : Methods and Applications
Da: GreatBookPrices, Columbia, MD, U.S.A.
Valutazione del venditore 5 su 5 stelle
Condizione: New. Codice articolo 21682570-n
Quantità: 15 disponibili
Immagini fornite dal venditore
Recent Advances in QSAR Studies
Da: moluna, Greven, Germania
Valutazione del venditore 4 su 5 stelle
Condizione: New. Codice articolo 5826153
Quantità: Più di 20 disponibili
Foto dell'editore
Recent Advances in QSAR Studies (Paperback)
Da: Grand Eagle Retail, Mason, OH, U.S.A.
Valutazione del venditore 5 su 5 stelle
Paperback. Condizione: new. Paperback. Since the inception of this volume, the world's nancial climate has radically changed. Theemphasishasshiftedfromboomingeconomiesandeconomicgrowth totherealityofrecessionanddiminishingoutlook. Witheconomicdownturncomes opportunity,inallareasofchemistryfromresearchanddevelopmentthroughto productregistrationandriskassessment,replacementsarebeingsough tforcostly time-consumingprocesses. Leadingamongstthereplacementsaremodelswithtrue predictivecapability. Ofthesecomputationalmodelsarepreferred. This volume addresses a broad need within various areas of the "chemical industries", from pharmaceuticals and pesticides to personal products to provide computationalmethodstopredicttheeffects,activitiesandproperti esofmolecules. Itaddressestheuseofmodelstodesignnewmoleculesandassesstheirfateand effectsbothtotheenvironmentandtohumanhealth. Thereisanemphasisrunning throughoutthisvolumetoproducerobustmodelssuitableforpurpose. Thevolume aimstoallowthereaderto nddataanddescriptorsanddevelop,discoverandutilise validmodels. Gdansk, ' Poland TomaszPuzyn Jackson,MS,USA JerzyLeszczynski Liverpool,UK MarkT. D.Cronin May2009 CONTENTS Part I Theory of QSAR 1 QuantitativeStructure-ActivityRelationships(QSARs)- ApplicationsandMethodology.3 Mark T. D. Cronin 1. 1. Introduction.3 1. 2. PurposeofQSAR.4 1. 3. ApplicationsofQSAR.4 1. 4. Methods.5 1. 5. TheCornerstonesofSuccessfulPredictiveModels .7 1. 6. AValidated(Q)SARoraValidPrediction? .9 1. 7. UsinginSilicoTechniques .9 1. 8. NewAreasforinSilicoModels.11 1. 9. Conclusions.11 References .11 2 TheUseofQuantumMechanicsDerivedDescriptorsin ComputationalToxicology.13 Steven J. Enoch 2. 1. Introduction.13 2. 2. TheSchrodingerEquation.15 2. 3. Hartree-FockTheory.17 2. 4. Semi-EmpiricalMethods:AM1andRM1.18 2. 5. ABInitio:DensityFunctionalTheory.19 2. 6. QSARforNon-ReactiveMechanismsofAcute(Aquatic) Toxicity.19 2. 7. QSARsforReactiveToxicityMechanisms.21 2. 7. 1. AquaticToxicityandSkinSensitisation.21 2. 7. 2. QSARsforMutagenicity .24 2. 8. FutureDirectionsandOutlook.25 2. 9. Conclusions.26 References .26 vii viii Contents 3 MolecularDescriptors.29 Viviana Consonni and Roberto Todeschini 3. 1. Introduction.29 3. 1. 1. De nitions.29 3. 1. 2. History.31 3. 1. 3. Theoreticalvs.ExperimentalDescriptors.33 3. 2. MolecularRepresentation .35 3. 3. TopologicalIndexes.38 3. 3. 1. MolecularGraphs.38 3. 3. 2. De nitionandCalculationofTopologicalIndexes(TIs) 39 3. 3. 3. Graph-TheoreticalMatrixes.42 3. 3. 4. ConnectivityIndexes .48 3. 3. 5. CharacteristicPolynomial .50 3. 3. 6. SpectralIndexes .53 3. 4. AutocorrelationDescriptors . This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling. Shipping may be from multiple locations in the US or from the UK, depending on stock availability. Codice articolo 9789400730915
Quantità: 1 disponibili
Immagini fornite dal venditore
Recent Advances in QSAR Studies
Editore:
Springer Netherlands Mrz 2012, 2012
ISBN 10: 9400730918
ISBN 13: 9789400730915
Nuovo
Taschenbuch
Da: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germania
Valutazione del venditore 5 su 5 stelle
Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Recent Advances in QSAR Studies: Methods and Applications presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experienced lecturers. It focuses on methodology and new ideas, providing readers with an idea of recent trends and developments in each part of QSAR strategy (descriptors, methods of modelling, validation). The second part of this volume highlights the interdisciplinary aspects and new areas of QSAR modelling. It outlines the theoretical framework together with practical applications. The most optimal solutions (descriptors, mathematical/statistical methods, validation) in the individual areas of interest (environmental risk assessment, drug design, etc.) are also discussed in more detail.Recent Advances in QSAR Studies: Methods and Applications is targeted at scientists who are focussed on developing new methodologies as well as researchers who are engaged in trying to solve specific problems via QSAR. Additionally, this volume should serve as an essential reference to promote interactions between members of the academic community and industry. 440 pp. Englisch. Codice articolo 9789400730915
Quantità: 2 disponibili
Immagini fornite dal venditore
Recent Advances in Qsar Studies : Methods and Applications
Da: GreatBookPrices, Columbia, MD, U.S.A.
Valutazione del venditore 5 su 5 stelle
Condizione: As New. Unread book in perfect condition. Codice articolo 21682570
Quantità: 15 disponibili
Foto dell'editore
Recent Advances in Qsar Studies
Da: Books Puddle, New York, NY, U.S.A.
Valutazione del venditore 4 su 5 stelle
Condizione: New. pp. 440. Codice articolo 2614419520
Quantità: 4 disponibili
Immagini fornite dal venditore
Recent Advances in QSAR Studies
Editore:
Springer Netherlands, Springer Netherlands Mär 2012, 2012
ISBN 10: 9400730918
ISBN 13: 9789400730915
Nuovo
Taschenbuch
Da: buchversandmimpf2000, Emtmannsberg, BAYE, Germania
Valutazione del venditore 5 su 5 stelle
Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -. . . . . . . . 7 1. 6. AValidated(Q)SARoraValidPrediction . . . . . . . . . . . . . . . . . . 9 1. 7. UsinginSilicoTechniques . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 1. 8. NewAreasforinSilicoModels. . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 1. 9. Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 2 TheUseofQuantumMechanicsDerivedDescriptorsin ComputationalToxicology. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13 Steven J. Enoch 2. 1. Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13 2. 2. TheSchrödingerEquation. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 2. 3. Hartree¿FockTheory. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17 2. 4. Semi-EmpiricalMethods:AM1andRM1. . . . . . . . . . . . . . . . . . . . 18 2. 5. ABInitio:DensityFunctionalTheory. . . . . . . . . . . . . . . . . . . . . . . 19 2. 6. QSARforNon-ReactiveMechanismsofAcute(Aquatic) Toxicity. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19 2. 7. QSARsforReactiveToxicityMechanisms. . . . . . . . . . . . . . . . . . . 21 2. 7. 1. AquaticToxicityandSkinSensitisation. . . . . . . . . . . . . 21 2. 7. 2. QSARsforMutagenicity . . . . . . . . . . . . . . . . . . . . . . . . . 24 2. 8. FutureDirectionsandOutlook. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25 2. 9. Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 vii viii Contents 3 MolecularDescriptors. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29 ViSpringer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 440 pp. Englisch. Codice articolo 9789400730915
Quantità: 1 disponibili
Foto dell'editore
Recent Advances in Qsar Studies
Print on DemandDa: Majestic Books, Hounslow, Regno Unito
Valutazione del venditore 5 su 5 stelle
Condizione: New. Print on Demand pp. 440 75 Illus. (20 Col.). Codice articolo 11254175
Quantità: 4 disponibili
Immagini fornite dal venditore
Recent Advances in QSAR Studies : Methods and Applications
Editore:
Springer Netherlands, Springer Netherlands, 2012
ISBN 10: 9400730918
ISBN 13: 9789400730915
Nuovo
Taschenbuch
Da: AHA-BUCH GmbH, Einbeck, Germania
Valutazione del venditore 5 su 5 stelle
Taschenbuch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - Recent Advances in QSAR Studies: Methods and Applications presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experienced lecturers. It focuses on methodology and new ideas, providing readers with an idea of recent trends and developments in each part of QSAR strategy (descriptors, methods of modelling, validation). The second part of this volume highlights the interdisciplinary aspects and new areas of QSAR modelling. It outlines the theoretical framework together with practical applications. The most optimal solutions (descriptors, mathematical/statistical methods, validation) in the individual areas of interest (environmental risk assessment, drug design, etc.) are also discussed in more detail.Recent Advances in QSAR Studies: Methods and Applications is targeted at scientists who are focussed on developing new methodologies as well as researchers who are engaged in trying to solve specific problems via QSAR. Additionally, this volume should serve as an essential reference to promote interactions between members of the academic community and industry. Codice articolo 9789400730915
Quantità: 1 disponibili