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020 _a9781627030502
_9978-1-62703-050-2
024 7 _a10.1007/978-1-62703-050-2
_2doi
050 4 _aRM300-666
072 7 _aMMG
_2bicssc
072 7 _aMED071000
_2bisacsh
072 7 _aMKG
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082 0 4 _a615
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245 1 0 _aComputational Toxicology
_h[electronic resource] :
_bVolume I /
_cedited by Brad Reisfeld, Arthur N. Mayeno.
250 _a1st ed. 2013.
264 1 _aTotowa, NJ :
_bHumana Press :
_bImprint: Humana,
_c2013.
300 _aXI, 613 p. 157 illus., 75 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aMethods in Molecular Biology,
_x1940-6029 ;
_v929
505 0 _aWhat is Computational Toxicology? -- Computational Toxicology – Application in Environmental Chemicals -- Role of Computational Methods in Pharmaceutical Sciences -- Best Practices in Mathematical Modeling -- Tools and Techniques -- Prediction of Physicochemical Properties -- Informing Mechanistic Toxicology with Computational Molecular Models -- Chemical Structure Representations and Applications in Computational Toxicity -- Accessing and Using Chemical Property Databases -- Accessing, Using and Creating Chemical Property Databases for Computational Toxicology Modeling -- Molecular Dynamics -- Introduction to Pharmacokinetics in Clinical Toxicology.-Modeling of Absorption -- Prediction of Pharmacokinetic Parameters -- Ligand – And Structure-Based Pregnane X Receptor Models -- Non-Compartmental Analysis -- Compartmental Modeling in the Analysis of Biological Systems -- Physicologically Based Pharmacokinetic/Toxicokinetic Modeling -- Interspecies Extrapolation -- Population Effects and Variability -- Mechanism-Based Pharmacodynamic Modeling.
520 _aRapid advances in computer science, biology, chemistry, and other disciplines are enabling powerful new computational tools and models for toxicology and pharmacology. These computational tools hold tremendous promise for advancing science, from streamlining drug efficacy and safety testing, to increasing the efficiency and effectiveness of risk assessment for environmental chemicals. Computational Toxicology provides biomedical and quantitative scientists with essential background, context, examples, useful tips, and an overview of current developments in the field. Divided into four sections, Volume I covers a wide array of methodologies and topics. Opening with an introduction to the field of computational toxicology and its current and potential applications, the volume continues with ’best practices’ in mathematical and computational modeling, followed by chemoinformatics and the use of computational techniques and databases to predict chemical properties and toxicity, as well as an overview of molecular dynamics.  The final section is a compilation of the key elements and main approaches used in pharmacokinetic and pharmacodynamic modeling, including the modeling of absorption, compartment and non-compartmental modeling, physiologically based pharmacokinetic modeling, interspecies extrapolation, and population effects. Written in the successful Methods in Molecular Biology™ series format where possible, chapters include introductions to their respective topics, lists of the materials and software tools used, methods, and notes on troubleshooting. Authoritative and easily accessible, Computational Toxicology will allow motivated readers to participate in this exciting field and undertake a diversity of realistic problems of interest.
650 0 _aPharmacology.
650 0 _aBioinformatics.
650 1 4 _aPharmacology.
650 2 4 _aComputational and Systems Biology.
700 1 _aReisfeld, Brad.
_eeditor.
_4edt
_4http://id.loc.gov/vocabulary/relators/edt
700 1 _aMayeno, Arthur N.
_eeditor.
_4edt
_4http://id.loc.gov/vocabulary/relators/edt
710 2 _aSpringerLink (Online service)
773 0 _tSpringer Nature eBook
776 0 8 _iPrinted edition:
_z9781627030496
776 0 8 _iPrinted edition:
_z9781627030519
776 0 8 _iPrinted edition:
_z9781493958979
830 0 _aMethods in Molecular Biology,
_x1940-6029 ;
_v929
856 4 0 _uhttps://doi.org/10.1007/978-1-62703-050-2
912 _aZDB-2-PRO
999 _c8375
_d8375