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[null,"1.","Record Nr.",null,"UNINA9910811555203321"]
[null,null,"Titolo",null,"Statistical modelling of molecular descriptors in QSAR/QSPR / / edited by Matthias Dehmer, Kurt Varmuza, and Danail Bonchev"]
[null,null,"Pubbl/distr/stampa",null,"Weinheim, : Wiley-VCH"]
[{"$nulls":4},"[Chichester, : John Wiley, distributor], c2012"]
[null,null,"ISBN",null,"9786613909411"]
[{"$nulls":4},"9783527645015"]
[{"$nulls":4},"3527645012"]
[{"$nulls":4},"9781283596961"]
[{"$nulls":4},"1283596962"]
[{"$nulls":4},"9783527645022"]
[{"$nulls":4},"3527645020"]
[{"$nulls":4},"9783527645121"]
[{"$nulls":4},"3527645128"]
[null,null,"Edizione",null,"[2nd ed.]"]
[null,null,"Descrizione fisica",null,"1 online resource (458 p.)"]
[null,null,"Collana",null,"Quantitative and network biology ; ; v. 2"]
[null,null,"Disciplina",null,"572.80285"]
[null,null,"Soggetti",null,"Bioinformatics"]
[{"$nulls":4},"Molecules - Models - Computer simulation"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Description based upon print version of record."]
[null,null,null,"Nota di bibliografia","Includes bibliographical references and index."]
[null,null,"Nota di contenuto",null,"Statistical Modelling of Molecular Descriptors in QSAR/QSPR; Contents; Preface; List of Contributors; 1 Current Modeling Methods Used in QSAR/QSPR; 1.1 Introduction; 1.2 Modeling Methods; 1.2.1 Methods for Regression Problems; 1.2.1.1 Multiple Linear Regression; 1.2.1.2 Partial Least Squares; 1.2.1.3 Feedforward Backpropagation Neural Network; 1.2.1.4 General Regression Neural Network; 1.2.1.5 Gaussian Processes; 1.2.2 Methods for Classification Problems; 1.2.2.1 Logistic Regression; 1.2.2.2 Linear Discriminant Analysis; 1.2.2.3 Decision Tree and Random Forest; 1.2.2.4 k-Nearest Neighbor"]
[{"$nulls":4},"1.2.2.5 Probabilistic Neural Network1.2.2.6 Support Vector Machine; 1.3 Software for QSAR Development; 1.3.1 Structure Drawing or File Conversion; 1.3.2 3D Structure Generation; 1.3.3 Descriptor Calculation; 1.3.4 Modeling; 1.3.5 General purpose; 1.4 Conclusion; References; 2 Developing Best Practices for Descriptor-Based Property Prediction: Appropriate Matching of Datasets, Descriptors, Methods, "]
[{"$nulls":4},"and Expectations; 2.1 Introduction; 2.1.1 Posing the Question; 2.1.2 Validating the Models; 2.1.3 Interpreting the Models; 2.2 Leveraging Experimental Data and Understanding their Limitations"]
[{"$nulls":4},"2.3 Descriptors: The Lexicon of QSARs2.3.1 Classical QSAR Descriptors and Uses; 2.3.2 Experimentally Derived Descriptors; 2.3.2.1 Biodescriptors; 2.3.2.2 Descriptors from Spectroscopy/Spectrometry and Microscopy; 2.3.3 0D, 1D and 2D Computational Descriptors; 2.3.4 3D Descriptors and Beyond; 2.3.5 Local Molecular Surface Property Descriptors; 2.3.6 Quantum Chemical Descriptors; 2.4 Machine Learning Methods: The Grammar of QSARs; 2.4.1 Principal Component Analysis; 2.4.2 Factor Analysis"]
[{"$nulls":4},"2.4.3 Multidimensional Scaling, Stochastic Proximity Embedding, and Other Nonlinear Dimensionality Reduction Methods2.4.4 Clustering; 2.4.5 Partial Least Squares (PLS); 2.4.6 k-Nearest Neighbors (kNN); 2.4.7 Neural Networks; 2.4.8 Ensemble Models; 2.4.9 Decision Trees and Random Forests; 2.4.10 Kernel Methods; 2.4.11 Ranking Methods; 2.5 Defining Modeling Strategies: Putting It All Together; 2.6 Conclusions; References; 3 Mold2 Molecular Descriptors for QSAR; 3.1 Background; 3.1.1 History of QSAR; 3.1.2 Introduction to QSAR; 3.1.3 Molecular Descriptors: Bridge for QSAR"]
[{"$nulls":4},"3.1.3.1 Molecular Descriptors3.1.3.2 Role of Molecular Descriptors; 3.1.3.3 Types of Molecular Descriptors; 3.1.3.4 Calculation of Molecular Descriptors (Software Packages); 3.2 Mold2 Molecular Descriptors; 3.2.1 Description of Mold2 Descriptors; 3.2.1.1 Topological Descriptors; 3.2.1.2 Constitutional Descriptors; 3.2.1.3 Information Content-based Descriptors; 3.2.2 Calculation of Mold2 Descriptors; 3.2.3 Evaluation of Mold2 Descriptors; 3.2.3.1 Information Content by Shannon Entropy Analysis; 3.2.3.2 Correlations between Descriptors; 3.3 QSAR Using Mold2 Descriptors"]
[{"$nulls":4},"3.3.1 Classification Models based on Mold2 Descriptors"]
[null,null,null,"Sommario/riassunto","This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR.The high-profile international author and editor team ensures excellent coverage of the topic, making th"]
[null,"2.","Record Nr.",null,"UNINA9910133378203321"]
[null,null,"Autore",null,"Aghroum Christian"]
[null,null,"Titolo",null,"Identification et surveillance des individus : quels enjeux pour nos démocraties"]
[null,null,"Pubbl/distr/stampa",null,"Éditions de la Bibliothèque publique d’information, 2010"]
[{"$nulls":4},"[Place of publication not identified], : Éditions de la Bibliothèque publique d'information, 2010"]
[null,null,"ISBN",null,"2-84246-180-0"]
[null,null,"Descrizione fisica",null,"1 online resource (96 pages)"]
[null,null,"Collana",null,"Paroles en réseau, , 1765-2782"]
[null,null,"Soggetti",null,"Social Welfare & Social Work"]
[{"$nulls":4},"Social Sciences"]
[{"$nulls":4},"Criminology, Penology & Juvenile Delinquency"]
[null,null,"Lingua di pubblicazione",null,"Francese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Bibliographic Level Mode of Issuance: Monograph"]
[null,null,null,"Sommario/riassunto","« Big Brother is watching you ! » Cet avertissement placardé sur les murs de la cité imaginaire d'Océania dans le roman 1984 de Georges Orwell peut-il s'appliquer à nos sociétés contemporaines ? Passeport biométrique, fichage informatisé des individus, multiplication des caméras de surveillance, utilisation de puce dans des objets de la vie quotidienne, ou pour suivre les criminels en liberté surveillée, les mesures d'identification, de fichage et de surveillance des individus par des techniques de plus en plus sophistiquées se multiplient. Justifiés par la lutte contre le terrorisme, le crime organisé ou l'immigration clandestine, mais aussi par la volonté de mettre en place de nouveaux services, ces processus suscitent des réactions contrastées, entre enthousiasme face aux avancées technologiques et inquiétude à l'idée des dérives possibles. L'État ou d’autres institutions publiques ou privées ont toujours cherché à identifier et à surveiller les citoyens. Cependant, avec la mondialisation, et le développement des transports et des technologies de l’information et de la communication, on assiste, depuis une trentaine d’années, à des changements très profonds dans ces domaines, accélérés par les attentats de cette dernière décennie dans le monde. Nécessaires du fait de l’ampleur des dangers menaçant les sociétés démocratiques pour certains, ces évolutions apparaissent pour d’autres comme le prélude à l’"]
[{"$nulls":4},"instauration d’une société totalitaire. Elles appellent en tous cas le débat : Quels sont les enjeux politiques, philosophiques, sociaux, économiques, juridiques, etc. de l’identification et de la surveillance des personnes à l’échelle nationale et internationale ? Quelle est leur efficacité contre les dangers dont elles sont censées nous protéger ? Surtout, quelles sont, dans nos démocraties, les garanties qui peuvent être apportés pour les libertés et les droits des individus ?"]