roy kunal (66 Ergebnisse)

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.

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.

Zustand: New.

Paperback. Zustand: Brand New. 101 pages. 9.25x6.10x0.22 inches. In Stock.

Paperback. Zustand: Brand New. 2015 edition. 132 pages. 9.00x6.25x0.50 inches. In Stock.

Paperback. Zustand: Good. 1. It's a preowned item in good condition and includes all the pages. It may have some general signs of wear and tear, such as markings, highlighting, slight damage to the cover, minimal wear to the binding, etc., but they will not affect the overall reading experience.

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.

Hardcover. Zustand: Very Good. No Jacket. May have limited writing in cover pages. Pages are unmarked. ~ ThriftBooks: Read More, Spend Less 2.99.

Taschenbuch. Zustand: Neu. Neuware -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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 132 pp. Englisch.

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.

Zustand: Sehr gut. Zustand: Sehr gut | Sprache: Englisch | Produktart: Bücher | This brief offers an introduction to the fascinating new field of quantitative read-across structure-activity relationships (q-RASAR) as a cheminformatics modeling approach in the background of quantitative structure-activity relationships (QSAR) and read-across (RA) as data gap-filling methods. It discusses the genesis and model development of q-RASAR models demonstrating practical examples. It also showcases successful case studies on the application of q-RASAR modeling in medicinal chemistry, predictive toxicology, and materials sciences. The book also includes the tools used for q-RASAR model development for new users. It is a valuable resource for researchers and students interested in grasping the development algorithm of q-RASAR models and their application within specific research domains.

Zustand: Hervorragend. Zustand: Hervorragend | Sprache: Englisch | Produktart: Bücher | This brief offers an introduction to the fascinating new field of quantitative read-across structure-activity relationships (q-RASAR) as a cheminformatics modeling approach in the background of quantitative structure-activity relationships (QSAR) and read-across (RA) as data gap-filling methods. It discusses the genesis and model development of q-RASAR models demonstrating practical examples. It also showcases successful case studies on the application of q-RASAR modeling in medicinal chemistry, predictive toxicology, and materials sciences. The book also includes the tools used for q-RASAR model development for new users. It is a valuable resource for researchers and students interested in grasping the development algorithm of q-RASAR models and their application within specific research domains.

Taschenbuch. Zustand: Neu. A Primer on QSAR/QSPR Modeling | Fundamental Concepts | Kunal Roy (u. a.) | Taschenbuch | x | Englisch | 2015 | Springer International Publishing | EAN 9783319172804 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Kartoniert / Broschiert. Zustand: New.

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.

Zustand: New.

Paperback. Zustand: Brand New. 600 pages. 9.25x7.50x1.61 inches. In Stock.

Buch. Zustand: Neu. Neuware -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.Humana Press in Springer Science + Business Media, Heidelberger Platz 3, 14197 Berlin 664 pp. Englisch.

Hardcover. Zustand: Brand New. 386 pages. 9.26x6.11x9.00 inches. In Stock.

Taschenbuch. Zustand: Neu. Neuware.

Buch. 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.

Taschenbuch. Zustand: Neu. Neuware -This volume focuses on computational modeling of the ecotoxicity of chemicals and presents applications of quantitative structure¿activity relationship models (QSARs) in the predictive toxicology field in a regulatory context. The extensive book covers a variety of protocols for descriptor computation, data curation, feature selection, learning algorithms, validation of models, applicability domain assessment, confidence estimation for predictions, and much more, as well as case studies and literature reviews on a number of hot topics. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical advice that is essential for researchers everywhere.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 852 pp. Englisch.

Zustand: New. 2017. 1st ed. 2018. hardcover. . . . . . Books ship from the US and Ireland.

Zustand: New.

Zustand: New.

Hardcover. Zustand: Brand New. 1st edition. 645 pages. 10.00x7.00x1.50 inches. In Stock.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This volume focuses on computational modeling of the ecotoxicity of chemicals and presents applications of quantitative structure-activity relationship models (QSARs) in the predictive toxicology field in a regulatory context. The extensive book covers a variety of protocols for descriptor computation, data curation, feature selection, learning algorithms, validation of models, applicability domain assessment, confidence estimation for predictions, and much more, as well as case studies and literature reviews on a number of hot topics. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical advice that is essential for researchers everywhere.Authoritative and comprehensive, Ecotoxicological QSARs is an ideal source to update readers in the field with current practices and introduce to them new developments and should therefore be very useful for researchers in academia, industries, and regulatory bodies.

Zustand: New.

Buch. Zustand: Neu. Neuware -This volume focuses on computational modeling of the ecotoxicity of chemicals and presents applications of quantitative structure¿activity relationship models (QSARs) in the predictive toxicology field in a regulatory context. The extensive book covers a variety of protocols for descriptor computation, data curation, feature selection, learning algorithms, validation of models, applicability domain assessment, confidence estimation for predictions, and much more, as well as case studies and literature reviews on a number of hot topics. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical advice that is essential for researchers everywhere.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 852 pp. Englisch.