LEADER 05066nam 2200661 450 001 9910337929603321 005 20210914005128.0 010 $a3-030-16443-8 010 $a9783030164430 024 7 $a10.1007/978-3-030-16443-0 035 $a(CKB)4100000008280427 035 $a(MiAaPQ)EBC5779981 035 $a(DE-He213)978-3-030-16443-0 035 $a(PPN)236522752 035 $a(EXLCZ)994100000008280427 100 $a20190521d2019 u| 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aAdvances in Computational Toxicology $eMethodologies and Applications in Regulatory Science /$fedited by Huixiao Hong 205 $a1st ed. 2019. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2019. 215 $a1 online resource (416 pages) 225 1 $aChallenges and Advances in Computational Chemistry and Physics,$x2542-4491 ;$v30 311 $a3-030-16442-X 327 $aComputational 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. 330 $aThis book provides a comprehensive review of both traditional and cutting-edge methodologies that are currently used in computational toxicology and specifically features its application in regulatory decision making. The authors from various government agencies such as FDA, NCATS and NIEHS industry, and academic institutes share their real-world experience and discuss most current practices in computational toxicology and potential applications in regulatory science. Among the topics covered are molecular modeling and molecular dynamics simulations, machine learning methods for toxicity analysis, network-based approaches for the assessment of drug toxicity and toxicogenomic analyses. Offering a valuable reference guide to computational toxicology and potential applications in regulatory science, this book will appeal to chemists, toxicologists, drug discovery and development researchers as well as to regulatory scientists, government reviewers and graduate students interested in this field. 410 0$aChallenges and Advances in Computational Chemistry and Physics,$x2542-4491 ;$v30 606 $aChemoinformatics 606 $aPharmacology 606 $aBioinformatics  606 $aComputational biology  606 $aChemistry, Physical and theoretical 606 $aBioinformatics 606 $aComputer Applications in Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C13009 606 $aPharmacology/Toxicology$3https://scigraph.springernature.com/ontologies/product-market-codes/B21007 606 $aComputer Appl. in Life Sciences$3https://scigraph.springernature.com/ontologies/product-market-codes/L17004 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aComputational Biology/Bioinformatics$3https://scigraph.springernature.com/ontologies/product-market-codes/I23050 615 0$aChemoinformatics. 615 0$aPharmacology. 615 0$aBioinformatics . 615 0$aComputational biology . 615 0$aChemistry, Physical and theoretical. 615 0$aBioinformatics. 615 14$aComputer Applications in Chemistry. 615 24$aPharmacology/Toxicology. 615 24$aComputer Appl. in Life Sciences. 615 24$aTheoretical and Computational Chemistry. 615 24$aComputational Biology/Bioinformatics. 676 $a025.066159 702 $aHong$b Huixiao$4edt$4http://id.loc.gov/vocabulary/relators/edt 906 $aBOOK 912 $a9910337929603321 996 $aAdvances in Computational Toxicology$91570969 997 $aUNINA