Anbieter: Universitätsbuchhandlung Herta Hold GmbH, Berlin, Deutschland
XVI, 563 p. Hardcover. Versand aus Deutschland / We dispatch from Germany via Air Mail. Einband bestoßen, daher Mängelexemplar gestempelt, sonst sehr guter Zustand. Imperfect copy due to slightly bumped cover, apart from this in very good condition. Stamped. Methods in Pharmacology and Toxicology. Sprache: Englisch.
Sprache: Englisch
Verlag: LAP LAMBERT Academic Publishing, 2024
ISBN 10: 6207474988 ISBN 13: 9786207474981
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Anbieter: Universitätsbuchhandlung Herta Hold GmbH, Berlin, Deutschland
XXI, 830 p. Hardcover. Einband bestoßen, daher Mängelexemplar gestempelt, sonst sehr guter Zustand. Imperfect copy due to slightly bumped cover, apart from this in very good condition. Stamped. Sprache: Englisch.
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Sprache: Englisch
Verlag: Anchor Academic Publishing, 2016
ISBN 10: 3960670249 ISBN 13: 9783960670247
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Anbieter: Revaluation Books, Exeter, Vereinigtes Königreich
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In den WarenkorbPaperback. Zustand: Brand New. 101 pages. 9.25x6.10x0.22 inches. In Stock.
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In den WarenkorbPaperback. Zustand: Brand New. 96 pages. 9.25x6.10x9.24 inches. In Stock.
Sprache: Englisch
Verlag: LAP LAMBERT Academic Publishing, 2024
ISBN 10: 6207474988 ISBN 13: 9786207474981
Anbieter: moluna, Greven, Deutschland
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Anbieter: Revaluation Books, Exeter, Vereinigtes Königreich
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In den WarenkorbPaperback. Zustand: Brand New. 2015 edition. 132 pages. 9.00x6.25x0.50 inches. In Stock.
Sprache: Englisch
Verlag: Academic Press (edition 1), 2023
ISBN 10: 0443186383 ISBN 13: 9780443186387
Anbieter: BooksRun, Philadelphia, PA, USA
Paperback. Zustand: Very Good. 1. It's a well-cared-for item that has seen limited use. The item may show minor signs of wear. All the text is legible, with all pages included. It may have slight markings and/or highlighting.
Sprache: Englisch
Verlag: Springer, Springer International Publishing, 2026
ISBN 10: 3032100801 ISBN 13: 9783032100801
Anbieter: AHA-BUCH GmbH, Einbeck, Deutschland
Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This brief introduces the readers of predictive cheminformatics to the concept of cliffs in the structure-activity landscape, which may greatly affect the data set modelability and the quality of predictions, hence generating disappointment from the performance of Quantitative Structure-Activity Relationship (QSAR) models. Although QSAR models are based on the assumption of a smooth activity landscape, where similar molecules are expected to have similar activities, some similar molecules can occasionally exhibit large differences in activity (for example, 100-fold). The definition of similarity for identifying activity cliffs may be based on chemical fingerprints or descriptors (classical activity cliffs), substructures (chirality cliffs, matched molecular pair cliffs), three-dimensional structure-based cliffs (3D cliffs), or the target-set-dependent potency difference. Some prediction outliers, even within the applicability domain of QSAR models, may arise due to the activity cliff (AC) behavior. In addition to compound pairs, activity cliffs may also be visualized in coordinated networks forming AC clusters. Despite using high-quality data, the data set's modelability may be significantly compromised in the presence of ACs, among other factors. The modelability of the dataset has been studied using different approaches like modelability index (MODI), weighted modelability index (WMODI), rivality index, etc. At the same time, the applicability domain of QSAR models is evaluated using a variety of methods, including leverage, principal components, standardization methods, and distance to the model in X-space, among others. Different methods for identifying activity cliffs have been proposed, such as the structure-activity landscape index (SALI), the structure-activity relationship (SAR) index, and the structure-activity similarity (SAS) maps. Recently, the Arithmetic Residuals in K-Groups Analysis (ARKA) has been shown to be successful in identifying activity cliffs. This approach has also been applied in small data set classification modeling. A multiclass ARKA approach has also been developed for its possible application in regression-based problems by integrating it with the quantitative read-across structure-activity relationship (q-RASAR) framework. This book showcases the evolution and the current status of the concept of activity cliffs as relevant to QSAR predictions and indicates the future directions in the research on activity cliffs. Researchers in the fields of medicinal chemistry, predictive toxicology, nanosciences, food science, agricultural sciences, and materials informatics should benefit from the concept of activity cliffs, impacting model-derived predictions.
Taschenbuch. Zustand: Neu. Activity Cliffs | Where QSAR Predictions Fail | Kunal Roy (u. a.) | Taschenbuch | xv | Englisch | 2026 | Springer | EAN 9783032100801 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
Taschenbuch. Zustand: Neu. q-RASAR | A Path to Predictive Cheminformatics | Kunal Roy (u. a.) | Taschenbuch | SpringerBriefs in Molecular Science | x | Englisch | 2024 | Springer | EAN 9783031520563 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
Anbieter: Ria Christie Collections, Uxbridge, Vereinigtes Königreich
EUR 113,02
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Sprache: Englisch
Verlag: Springer International Publishing, Springer International Publishing, 2015
ISBN 10: 3319172808 ISBN 13: 9783319172804
Anbieter: AHA-BUCH GmbH, Einbeck, Deutschland
Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.
Anbieter: preigu, Osnabrück, Deutschland
Taschenbuch. Zustand: Neu. A Primer on QSAR/QSPR Modeling | Fundamental Concepts | Kunal Roy (u. a.) | Taschenbuch | SpringerBriefs in Molecular Science | x | Englisch | 2015 | Springer | EAN 9783319172804 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
Anbieter: Ria Christie Collections, Uxbridge, Vereinigtes Königreich
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In den WarenkorbZustand: New. In.
Sprache: Portugiesisch
Verlag: Edições Nosso Conhecimento, 2024
ISBN 10: 6207334078 ISBN 13: 9786207334070
Anbieter: Ria Christie Collections, Uxbridge, Vereinigtes Königreich
EUR 44,07
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Anbieter: Ria Christie Collections, Uxbridge, Vereinigtes Königreich
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In den WarenkorbKartoniert / Broschiert. Zustand: New. Includes numerous practical examples related to QSAR methods and applications Follows the Organization for Economic Co-operation and Development principles for QSAR model development Discusses related techniques such as structure-.
Anbieter: preigu, Osnabrück, Deutschland
Taschenbuch. Zustand: Neu. Computational Modeling of Drugs Against Alzheimer's Disease | Kunal Roy | Taschenbuch | Neuromethods | xvii | Englisch | 2018 | Humana | EAN 9781493984756 | Verantwortliche Person für die EU: Humana Press in Springer Science + Business Media, Heidelberger Platz 3, 14197 Berlin, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
Anbieter: Majestic Books, Hounslow, Vereinigtes Königreich
EUR 186,93
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In den WarenkorbZustand: New.
Anbieter: AHA-BUCH GmbH, Einbeck, Deutschland
Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This volume describes different computational methods encompassing ligand-based approaches (QSAR, pharmcophore), structure-based approaches (homology modeling, docking, molecular dynamics simulation), and combined approaches (virtual screening) with applications in anti-Alzheimer drug design. Different background topics like molecular etiologies of Alzheimer's disease, targets for new drug development, and different cheminformatic modeling strategies are covered for completeness. Special topics like multi-target drug development, natural products, protein misfolding, and nanomaterials are also included in connection with computational modeling of anti-Alzheimer drug development. In Neuromethods series style, chapters include the kind of detail and key advice from the specialists needed to get successful results in your laboratory. Cutting-edge and authoritative, Computational Modeling of Drugs Against Alzheimer's Disease is a valuable resource for learningabout the latest computational techniques used to study this disease.
Anbieter: Revaluation Books, Exeter, Vereinigtes Königreich
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In den WarenkorbPaperback. Zustand: Brand New. 600 pages. 9.25x7.50x1.61 inches. In Stock.
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