Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology 1st Edition Subhash C. Basak

Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology 1st Edition – Ebook Instant Download/Delivery ISBN(s): 9780323857130,0323857132,9780323857147, 0323857140

Product details:

• ISBN-10: 0323857140
• ISBN-13: 9780323857147
• Author: Subhash Basak, Marjan Vračko

Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology provides an up-to-date presentation of big data analytics methods and their applications in diverse fields. The proper management of big data for decision-making in scientific and social issues is of paramount importance. This book gives researchers the tools they need to solve big data problems in these fields. It begins with a section on general topics that all readers will find useful and continues with specific sections covering a range of interdisciplinary applications.

Table contents:

1. Chemoinformatics and bioinformatics by discrete mathematics and numbers: an adventure from small data to the realm of emerging big data
2. Robustness Concerns in High-dimensional Data Analysis and Potential Solutions
3. The Social Face of Big Data: Privacy, Transparency, Bias and Fairness in Algorithms
4. Integrating data into a complex Adverse Outcome Pathway
   Big data and deep learning: extracting and revising chemical knowledge from data
5. Retrosynthetic space persuades by big data descriptors, by Claudiu N Lungu
6. Approaching history of chemistry through big data on chemical reactions and compounds
7. Combinatorial Techniques for Large Data Sets: Hypercubes and Halocarbons
8. Development of QSAR/QSPR/QSTR models based on Electrophilicity index: A Conceptual DFT based descriptor
   Pharmacophore based virtual screening of large compound databases can aid “big data” problems in drug discovery
9. A New Robust Classifier to Detect Hot-Spots and Null-Spots in Protein-Protein Interface: Validation of Binding Pocket and Identification of Inhibitors in in-vitro and in-vivo Models
10. Mining Big Data in Drug Discovery – Triaging and Decision Trees
11. Use of proteomics data and proteomics based biodescriptors in the estimation of bioactivity/ toxicity of chemicals and nanosubstances
12. Mapping Interaction between Big spaces; active space from Protein structure and available chemical space
    Artificial Intelligence, Big Data and Machine Learning approaches in Genome-wide SNP based prediction for Precision Medicine & Drug Discovery
13. Applications of alignment-free sequence descriptors (AFSDs) in the characterization of sequences in the age of big data: A case study with Zika virus, SARS, MERS, and COVID-19
14. Scalable QSAR Systems for Predictive Toxicology
15. From big data to complex network: a navigation through the maze of drug-target interaction
16. Dissecting big RNA-Seq cancer data using machine learning to find disease-associated genes and the causal mechanism

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