Big Data Analytics in Chemoinformatics and Bioinformatics : With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology

Front Cover -- Big Data Analytics in Chemoinformatics and Bioinformatics -- Copyright Page -- Contents -- List of contributors -- Preface -- 1 General section -- 1 Chemoinformatics and bioinformatics by discrete mathematics and numbers: an adventure from small data to the realm of eme... -- 1.1 Introduction -- 1.2 Chemobioinformatics-a confluence of disciplines? -- 1.2.1 Physical property: colligative versus constitutive -- 1.2.2 Early biochemical observations on the relationship between chemical structure and bioactivity of molecules -- 1.2.3 Linear free energy relationship: the multiparameter Hansch approach to quantitative structure-activity relationship -- 1.2.4 Chemical graph theory and quantum chemistry as the source of chemodescriptors -- 1.2.4.1 Topological indices-graph theoretic definitions and calculation methods -- 1.2.4.2 What do the topological indices represent about molecular structure? -- 1.3 Bioifnormatics: quantitative inforamtics in the age of big biology -- 1.4 Major pillars of model building -- 1.5 Discussion -- 1.6 Conclusion -- Acknowledgment -- References -- 2 Robustness concerns in high-dimensional data analyses and potential solutions -- 2.1 Introduction -- 2.2 Sparse estimation in high-dimensional regression models -- 2.2.1 Starting of the era: the least absolute shrinkage and selection operator -- 2.2.2 Likelihood-based extensions of the LASSO -- 2.2.3 Search for a better penalty function -- 2.3 Robustness concerns for the penalized likelihood methods -- 2.4 Penalized M-estimation for robust high-dimensional analyses -- 2.5 Robust minimum divergence methods for high-dimensional regressions -- 2.5.1 The minimum penalized density power divergence estimator -- 2.5.2 Asymptotic properties of the MDPDE under high-dimensional GLMs..

Medienart:	E-Book

Erscheinungsjahr:	2022 ©2022
Erschienen:	San Diego: Elsevier ; 2022 ©2022

Sprache:	Englisch

Beteiligte Personen:	Basak, Subhash C. [VerfasserIn] Vračko, Marjan [Mitwirkende/r]

Links:	ebookcentral.proquest.com [lizenzpflichtig]

ISBN:	978-0-323-85714-7

Themen:	Electronic books

Anmerkungen:	Description based on publisher supplied metadata and other sources

Umfang:	1 online resource (503 pages)

Förderinstitution / Projekttitel:

PPN (Katalog-ID):	1827730404