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9th International Conference on Practical Applications of Computational Biology and Bioinformatics [[electronic resource] /] / edited by Ross Overbeek, Miguel P. Rocha, Florentino Fdez-Riverola, Juan F. De Paz
| 9th International Conference on Practical Applications of Computational Biology and Bioinformatics [[electronic resource] /] / edited by Ross Overbeek, Miguel P. Rocha, Florentino Fdez-Riverola, Juan F. De Paz |
| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource |
| Disciplina | 572.80285 |
| Collana | Advances in Intelligent Systems and Computing |
| Soggetto topico |
Computational intelligence
Artificial intelligence Bioinformatics Chemoinformatics Computational Intelligence Artificial Intelligence Computational Biology/Bioinformatics Computer Applications in Chemistry |
| ISBN |
3-319-19775-4
3-319-19776-2 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | A Preliminary Assessment of Three Strategies for the Agent-Based Modeling of Bacterial Conjugation -- Carotenoid Analysis of Cassava Genotypes Roots (Manihot Esculenta Crantz) Cultivated in Southern Brazil Using Chemometric Tools -- UV-Visible Scanning Spectrophotometry and Chemometric Analysis As Tools to Build Descriptive And Classification Models for Propolis from Southern Brazil -- UV-Visible Spectrophotometry-Based Metabolomic Analysis of Cedrela Fissilis Velozzo (Meliaceae) Calluses - A Screening Tool for Culture Medium Composition and Cell Metabolic Profiles -- An Integrated Computational Platform for Metabolomics Data Analysis -- Compound Identification in Comprehensive Gas Chromatography - Mass Spectrometry-Based Metabolomics by Blind Source Separation -- Dolphin 1D: Improving Automation of Targeted Metabolomics in Multi-Matrix Datasets Of 1H-NMR Spectra -- A New Dimensionality Reduction Technique Based On HMM for Boosting Document Classification -- Diagnostic Knowledge Extraction from Medlineplus: An Application for Infectious Diseases -- A Text Mining Approach for the Extraction Of Kinetic Information from Literature -- A Novel Search Engine Supporting Specific Drug Queries And Literature Management -- Ganoderma Australe Transcriptome Analysis with Hidden Markov Model And Bayesian Inference Approaches -- A New Bioinformatic Pipeline to Address The Most Common Requirements in RNA-Seq Data Analysis -- Microarray Gene Expression Data Integration: An Application to Brain Tumor Grade Determination -- Obtaining Relevant Genes by Analysis of Expression Arrays with a Multi-Agent System. |
| Record Nr. | UNINA-9910299817803321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advances in Computational Toxicology : Methodologies and Applications in Regulatory Science / / edited by Huixiao Hong
| Advances in Computational Toxicology : Methodologies and Applications in Regulatory Science / / edited by Huixiao Hong |
| Edizione | [1st ed. 2019.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019 |
| Descrizione fisica | 1 online resource (416 pages) |
| Disciplina | 025.066159 |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Chemoinformatics
Pharmacology Bioinformatics Computational biology Chemistry, Physical and theoretical Bioinformatics Computer Applications in Chemistry Pharmacology/Toxicology Computer Appl. in Life Sciences Theoretical and Computational Chemistry Computational Biology/Bioinformatics |
| ISBN |
3-030-16443-8
9783030164430 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Computational Toxicology Promotes Regulatory Science -- Tasks, Major Challenges and Emerging Modelling Methods for Computational Toxicology -- Xenobiotic Metabolism by Cytochrome P450s: Insights Gained from Molecular Simulations -- Applications of Molecular Modeling to Probe the Mechanism of Endocrine Disruptor Action -- Mixture Toxicity -- Towards reproducible in silico practice via OpenTox -- Combining Machine Learning and Multilayer Networks for Toxicity Prediction -- Matrix and tensor factorization for toxicity modelling -- Network-based In Silico Assessment of Drug Cardiotoxicity -- Mode-of-action-guided chemical toxicity prediction: A novel in silico approach for predictive toxicology -- Machine learning methods for toxicity analysis -- Predictive modeling of Tox21 data -- The NTP DrugMatrix Toxicogenomics Database and Analysis Tool -- Applications of Computational Toxicology for Risk Assessment of Food Ingredients and Indirect Food Additives -- In silico prediction of the point of departure (POD) with high throughput data -- The application of topic modeling on drug safety signal detection and analysis -- Molecular dynamics simulations and applications in computational toxicology -- Computational modeling for prediction of drug-induced liver injury in humans -- Genomics in vitro to in vivo extrapolation (GIVIVE) for drug safety evaluation. |
| Record Nr. | UNINA-9910337929603321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Applications of Quantum Dynamics in Chemistry / / by Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts
| Applications of Quantum Dynamics in Chemistry / / by Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts |
| Autore | Gatti Fabien |
| Edizione | [1st ed. 2017.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 |
| Descrizione fisica | 1 online resource (XVI, 429 p. 110 illus.) |
| Disciplina | 541.28 |
| Collana | Lecture Notes in Chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical
Quantum theory Cheminformatics Chemometrics Theoretical and Computational Chemistry Quantum Physics Computer Applications in Chemistry Math. Applications in Chemistry |
| ISBN | 3-319-53923-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Part I Introduction -- Part II Concepts and Methods: Quantum effects -- Electronic states and potential energy operators -- The Choice of coordinates -- Kinetic energy operators -- Introduction to molecular symmetry -- Introduction to numerical methods and to MCTDH -- Part III Applications: Infrared spectroscopy -- Quantum control with laser pulses in the electronic ground state -- Photodissociation spectra -- Cross sections for reactive scattering -- Quantum control with laser pulses for electronically excited states -- Non-adiabatic photochemistry -- Optimal control and quantum computers -- Part IV Conclusion. |
| Record Nr. | UNINA-9910254147103321 |
Gatti Fabien
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Applied Bioinformatics : An Introduction / / by Paul M. Selzer, Richard J. Marhöfer, Oliver Koch
| Applied Bioinformatics : An Introduction / / by Paul M. Selzer, Richard J. Marhöfer, Oliver Koch |
| Autore | Selzer P. M (Paul M.) |
| Edizione | [2nd ed. 2018.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 |
| Descrizione fisica | 1 online resource (XVI, 183 p. 76 illus., 69 illus. in color.) |
| Disciplina | 570.285 |
| Soggetto topico |
Bioinformatics
Computational biology Cheminformatics Computer Appl. in Life Sciences Computational Biology/Bioinformatics Computer Applications in Chemistry |
| ISBN |
9783319683010
3319683012 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | The Biological Foundations of Bioinformatics -- Biological databases -- Sequence Comparisons and Sequence-Based Database Searches -- The decoding of eukaryotic genomes -- Protein Structures and Structure-Based Rational Drug Design -- The Functional Analysis of Genomes -- Comparative genome analyses. |
| Record Nr. | UNINA-9910298439303321 |
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Selzer P. M (Paul M.)
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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The Art of High Performance Computing for Computational Science, Vol. 1 : Techniques of Speedup and Parallelization for General Purposes / / edited by Masaaki Geshi
| The Art of High Performance Computing for Computational Science, Vol. 1 : Techniques of Speedup and Parallelization for General Purposes / / edited by Masaaki Geshi |
| Edizione | [1st ed. 2019.] |
| Pubbl/distr/stampa | Singapore : , : Springer Singapore : , : Imprint : Springer, , 2019 |
| Descrizione fisica | 1 online resource (IX, 219 p. 119 illus., 39 illus. in color.) |
| Disciplina | 005.11 |
| Soggetto topico |
Computer programming
Cheminformatics Computer simulation Programming Techniques Computer Applications in Chemistry Simulation and Modeling |
| ISBN | 981-13-6194-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1: High-Performance Computing Basics -- Chapter 2: Basics of MPI Programming -- Chapter 3: Basics of OpenMP Programming -- Chapter 4: Hybrid Parallelization Techniques -- Chapter 5: Application of Techniques for High-Performance Computing -- Chapter 6: Basics and practice of linear algebra calculation library BLAS and LAPACK -- Chapter 7: High performance algorithms for numerical linear algebra -- Chapter 8: Fast Fourier Transform in Large Scale Systems -- Chapter 9: Optimization and Related Topics -- Chapter 10: Techniques concerning computation accuracy. |
| Record Nr. | UNINA-9910350230403321 |
| Singapore : , : Springer Singapore : , : Imprint : Springer, , 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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The Art of High Performance Computing for Computational Science, Vol. 2 : Advanced Techniques and Examples for Materials Science / / edited by Masaaki Geshi
| The Art of High Performance Computing for Computational Science, Vol. 2 : Advanced Techniques and Examples for Materials Science / / edited by Masaaki Geshi |
| Edizione | [1st ed. 2019.] |
| Pubbl/distr/stampa | Singapore : , : Springer Singapore : , : Imprint : Springer, , 2019 |
| Descrizione fisica | 1 online resource (IX, 206 p. 99 illus., 7 illus. in color.) |
| Disciplina | 005.11 |
| Soggetto topico |
Computer programming
Cheminformatics Computer simulation Programming Techniques Computer Applications in Chemistry Simulation and Modeling |
| ISBN | 981-13-9802-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1: Supercomputers and application performance -- Chapter 2: Performance optimization of applications -- Chapter 3: Case studies of performance optimization of applications -- Chapter 4: O(N) methods -- Chapter 5: Acceleration of Classical Molecular Dynamics Simulations -- Chapter 6: Large scale quantum chemical calculation. |
| Record Nr. | UNINA-9910350221003321 |
| Singapore : , : Springer Singapore : , : Imprint : Springer, , 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Chemometrics in Electroanalysis / / by José Manuel Díaz-Cruz, Miquel Esteban, Cristina Ariño
| Chemometrics in Electroanalysis / / by José Manuel Díaz-Cruz, Miquel Esteban, Cristina Ariño |
| Autore | Díaz-Cruz José Manuel |
| Edizione | [1st ed. 2019.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019 |
| Descrizione fisica | 1 online resource (207 pages) |
| Disciplina | 543.015195 |
| Collana | Monographs in Electrochemistry |
| Soggetto topico |
Electrochemistry
Analytical chemistry Cheminformatics Analytical Chemistry Computer Applications in Chemistry |
| ISBN | 3-030-21384-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- Main characteristics and types of electrochemical data -- Exploratory data analysis -- Experimental design and optimization -- Calibration -- Model identification -- Expert systems in electroanalysis. . |
| Record Nr. | UNINA-9910349517303321 |
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Díaz-Cruz José Manuel
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Chemometrics with R [[electronic resource] ] : Multivariate Data Analysis in the Natural and Life Sciences / / by Ron Wehrens
| Chemometrics with R [[electronic resource] ] : Multivariate Data Analysis in the Natural and Life Sciences / / by Ron Wehrens |
| Autore | Wehrens Ron |
| Edizione | [2nd ed. 2020.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (XVI, 308 p. 111 illus., 82 illus. in color.) |
| Disciplina | 543.015195 |
| Collana | Use R! |
| Soggetto topico |
Statistics
Chemoinformatics Bioinformatics R (Computer program language) Statistics for Life Sciences, Medicine, Health Sciences Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Sciences Statistical Theory and Methods Computer Applications in Chemistry |
| ISBN | 3-662-62027-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction. - Data -- Preprocessing -- Principal Component Analysis -- Self-Organizing Maps. - Clustering -- Classification -- Multivariate Regression. - Validation -- Variable Selection -- Chemometric Applications. |
| Record Nr. | UNISA-996418252603316 |
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Wehrens Ron
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| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
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A Collection of Test Problems for Constrained Global Optimization Algorithms [[electronic resource] /] / by Christodoulos A. Floudas, Panos M. Pardalos
| A Collection of Test Problems for Constrained Global Optimization Algorithms [[electronic resource] /] / by Christodoulos A. Floudas, Panos M. Pardalos |
| Autore | Floudas Christodoulos A |
| Edizione | [1st ed. 1990.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1990 |
| Descrizione fisica | 1 online resource (XV, 185 p.) |
| Disciplina | 004.0151 |
| Collana | Lecture Notes in Computer Science |
| Soggetto topico |
Computers
Chemoinformatics Numerical analysis System theory Calculus of variations Economic theory Theory of Computation Computer Applications in Chemistry Numerical Analysis Systems Theory, Control Calculus of Variations and Optimal Control; Optimization Economic Theory/Quantitative Economics/Mathematical Methods |
| ISBN | 3-540-46327-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Quadratic programming test problems -- Quadratically constrained test problems -- Nonlinear programming test problems -- Distillation column sequencing test problems -- Pooling/blending test problems -- Heat exchanger network synthesis test problems -- Phase and chemical reaction equilibrium test problems -- Comlpex chemical reactor network test problems -- Reactor-seperator-recycle system test problems -- Mechanical design test problems -- VLSI design test problems. |
| Record Nr. | UNISA-996465860403316 |
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Floudas Christodoulos A
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| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1990 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
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Computational Modelling of the Human Islet Amyloid Polypeptide / / by Katrine Kirkeby Skeby
| Computational Modelling of the Human Islet Amyloid Polypeptide / / by Katrine Kirkeby Skeby |
| Autore | Skeby Katrine Kirkeby |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (XVI, 118 p. 58 illus., 47 illus. in color.) |
| Disciplina | 540 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Pharmaceutical chemistry
Cheminformatics Bioorganic chemistry Medicinal Chemistry Computer Applications in Chemistry Bioorganic Chemistry |
| ISBN | 3-319-20040-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Amyloid and Amyloid Fibrils -- Computational Theory -- Imaging Agent Binding to Amyloid Protofibrils -- Determining the Aggregation Prone Structure of hiAPP -- Effect of Terminal Capping on Aggregation of Peptide Fragments -- Coarse Grained Study of Amyloid Protofibril Aggregation -- Conclusion and Perspectives. |
| Record Nr. | UNINA-9910254025903321 |
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Skeby Katrine Kirkeby
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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