Big Data in Predictive Toxicology
The rate at which toxicological data is generated is continually becoming more rapid and the volume of data generated is growing dramatically. This is due in part to advances in software solutions and cheminformatics approaches which increase the availability of open data from chemical, biological and toxicological and high throughput screening resources. However, the amplified pace and capacity of data generation achieved by these novel techniques presents challenges for organising and analysing data output.
Big Data in Predictive Toxicology discusses these challenges as well as the opportunities of new techniques encountered in data science. It addresses the nature of toxicological big data, their storage, analysis and interpretation. It also details how these data can be applied in toxicity prediction, modelling and risk assessment.
This title is of particular relevance to researchers and postgraduates working and studying in the fields of computational methods, applied and physical chemistry, cheminformatics, biological sciences, predictive toxicology and safety and hazard assessment.
Big Data in Predictive Toxicology, The Royal Society of Chemistry, 2019.
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Table of contents
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CHAPTER 1: Big Data in Predictive Toxicology: Challenges, Opportunities and Perspectivesp1-37ByAndrea-Nicole RicharzAndrea-Nicole RicharzSearch for other works by this author on:
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CHAPTER 2: Biological Data in the Light of Toxicological Risk Assessmentp38-68ByVessela VitchevaVessela VitchevaMedical University of Sofia, Faculty of Pharmacy, Department of Pharmacology, Pharmacotherapy and Toxicology2 “Dunav” str.Sofia – 1000Bulgaria[email protected]Search for other works by this author on:
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CHAPTER 3: Chemoinformatics Representation of Chemical Structures – A Milestone for Successful Big Data Modelling in Predictive Toxicologyp69-107ByNikolay Kochev;Nikolay KochevDepartment of Analytical Chemistry and Computer Chemistry, University of Plovdiv24 Tzar Assen Str.4000 PlovdivBulgaria[email protected]Search for other works by this author on:Nina Jeliazkova;Nina JeliazkovaIdeaconsult Ltd4 A. Kanchev Str.Sofia 1000BulgariaSearch for other works by this author on:Ivanka TsakovskaIvanka TsakovskaInstitute of Biophysics and Biomedical Engineering – BASAcad. G. Bonchev Str., Bl.1051113 SofiaBulgariaSearch for other works by this author on:
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CHAPTER 4: Organisation of Toxicological Data in Databasesp108-165ByGlenn MyattGlenn MyattSearch for other works by this author on:
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CHAPTER 5: Making Big Data Available: Integrating Technologies for Toxicology Applicationsp166-184ByVedrin JeliazkovVedrin JeliazkovSearch for other works by this author on:
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CHAPTER 6: Storing and Using Qualitative and Quantitative Structure–Activity Relationships in the Era of Toxicological and Chemical Data Expansionp185-213ByDaniel Neagu;Daniel NeaguUniversity of Bradford, Department of Computer ScienceRichmond RoadBD7 1DP BradfordUKSearch for other works by this author on:Uko MaranUko MaranSearch for other works by this author on:
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CHAPTER 7: Toxicogenomics and Toxicoinformatics: Supporting Systems Biology in the Big Data Erap214-241ByTerezinha M. Souza;Terezinha M. SouzaMaastricht University, Department of ToxicogenomicsUniversiteitssingel 40MaastrichtThe Netherlands[email protected]Search for other works by this author on:Jos C. S. Kleinjans;Jos C. S. KleinjansMaastricht University, Department of ToxicogenomicsUniversiteitssingel 40MaastrichtThe Netherlands[email protected]Search for other works by this author on:Danyel G. J. JennenDanyel G. J. JennenMaastricht University, Department of ToxicogenomicsUniversiteitssingel 40MaastrichtThe Netherlands[email protected]Search for other works by this author on:
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CHAPTER 8: Profiling the Tox21 Chemical Library for Environmental Hazards: Applications in Prioritisation, Predictive Modelling, and Mechanism of Toxicity Characterisationp242-263ByS. Sakamuru;S. SakamuruNational Center for Advancing Translational Sciences, NIH9800 Medical Center DriveRockvilleMD20850 USA[email protected]Search for other works by this author on:H. Zhu;H. ZhuNational Center for Advancing Translational Sciences, NIH9800 Medical Center DriveRockvilleMD20850 USA[email protected]Search for other works by this author on:M. Xia;M. XiaNational Center for Advancing Translational Sciences, NIH9800 Medical Center DriveRockvilleMD20850 USA[email protected]Search for other works by this author on:A. Simeonov;A. SimeonovNational Center for Advancing Translational Sciences, NIH9800 Medical Center DriveRockvilleMD20850 USA[email protected]Search for other works by this author on:R. HuangR. HuangNational Center for Advancing Translational Sciences, NIH9800 Medical Center DriveRockvilleMD20850 USA[email protected]Search for other works by this author on:
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CHAPTER 9: Big Data Integration and Inferencep264-306ByKaren H. Watanabe-Sailor;Karen H. Watanabe-SailorArizona State University, School of Mathematical and Natural Sciences, West Campus4701 W. Thunderbird Rd.GlendaleAZ 85308-4908USA[email protected]Search for other works by this author on:Hristo Aladjov;Hristo AladjovOrganisation for Economic Co-operation and Development2 rue André-Pascal75775 Paris Cedex 16FranceSearch for other works by this author on:Shannon M. Bell;Shannon M. BellOak Ridge Institute for Science and EducationOak RidgeTennesseeUSAU.S. Environmental Protection Agency, Integrated Systems Toxicology Division, National Health and Environmental Effects Research LaboratoryResearch Triangle ParkNC 27711USASearch for other works by this author on:Lyle Burgoon;Lyle BurgoonUS Army Engineer Research and Development Center, Environmental LaboratoryVicksburgMS 39180USASearch for other works by this author on:Wan-Yun Cheng;Wan-Yun ChengOak Ridge Institute for Science and EducationOak RidgeTennesseeUSAU.S. Environmental Protection Agency, Integrated Systems Toxicology Division, National Health and Environmental Effects Research LaboratoryResearch Triangle ParkNC 27711USASearch for other works by this author on:Rory Conolly;Rory ConollyU.S. Environmental Protection Agency, Integrated Systems Toxicology Division, National Health and Environmental Effects Research LaboratoryResearch Triangle ParkNC 27711USASearch for other works by this author on:Stephen W. Edwards;Stephen W. EdwardsU.S. Environmental Protection Agency, Integrated Systems Toxicology Division, National Health and Environmental Effects Research LaboratoryResearch Triangle ParkNC 27711USASearch for other works by this author on:Nàtalia Garcia-Reyero;Nàtalia Garcia-ReyeroUS Army Engineer Research and Development Center, Environmental LaboratoryVicksburgMS 39180USASearch for other works by this author on:Michael L. Mayo;Michael L. MayoUS Army Engineer Research and Development Center, Environmental LaboratoryVicksburgMS 39180USASearch for other works by this author on:Anthony Schroeder;Anthony SchroederUniversity of Minnesota – Twin Cities, Water Resources Center1985 Lower Buford CircleSt. PaulMN 55108USASearch for other works by this author on:Clemens Wittwehr;Clemens WittwehrEuropean Commission, Joint Research CentreVia E. Fermi 274921027 Ispra, VAItalySearch for other works by this author on:Edward J. PerkinsEdward J. PerkinsUS Army Engineer Research and Development Center, Environmental LaboratoryVicksburgMS 39180USASearch for other works by this author on:
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CHAPTER 10: Chemometrical Analysis of Proteomics Datap307-330ByMarjan VračkoMarjan VračkoKemijski Inštitut/National Institute of ChemistryHajdrihova 191000 LjubljanaSlovenia[email protected]Search for other works by this author on:
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CHAPTER 11: Big Data and Biokineticsp331-358ByGina Song;Gina SongScitoVation6 Davis Drive, Research Triangle ParkNC 27709USASearch for other works by this author on:Harvey Clewell;Harvey ClewellRamboll EnvironResearch Triangle ParkNC 27709USASearch for other works by this author on:Bas BlaauboerBas BlaauboerUtrecht University, Institute of Risk Assessment SciencesYalelaan 2, 3584CM UtrechtThe NetherlandsSearch for other works by this author on:
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CHAPTER 12: Role of Toxicological Big Data to Support Read-across for the Assessment of Chemicalsp359-384ByMark T. D. Cronin;Mark T. D. CroninLiverpool John Moores University, School of PharmacyByrom StreetLiverpool L3 3AFEnglandUK[email protected]Search for other works by this author on:Andrea-Nicole RicharzAndrea-Nicole RicharzEuropean Commission, Joint Research Centre (JRC)IspraItalySearch for other works by this author on:
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