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- Bookedited by Brad Reisfeld, Arthur N. Mayeno.Contents:
V. 1. What is computational toxicology? / Brad Reisfeld and Arthur N. Mayeno. Computational toxicology : application in environmental chemicals / Yu-Mei Tan [and others] Role of computational methods in pharmaceutical sciences / Sandhya Kortagere, Markus Lill, and John Kerrigan. Best practices in mathematical modeling / Lisette G. de Pillis and Ami E. Radunskaya. Tools and techniques / Arthur N. Mayeno and Brad Reisfeld. Prediction of physicochemical properties / John C. Dearden. Informing mechanistic toxicology with computational molecular models / Michael R. Goldsmith [and others] Chemical structure representations and applications in computational toxicity / Muthukumarasamy Karthikeyan and Renu Vyas. Accessing and using chemical property databases / Janna Hastings, Zara Josephs, and Christoph Steinbeck. Accessing, using, and creating chemical property databases for computational toxicology modeling / Antony J. Williams [and others] Molecular dynamics / Xiaolin Cheng and Ivaylo Ivanov. Introduction to pharmacokinetics in clinical toxicology / Pavan Vajjah, Geoffrey K. Isbister, and Stephen B. Duffull. Modeling of absorption / Walter S. Woltosz, Michael B. Bolger, and Viera Lukacova. Prediction of pharmacokinetic parameters / A.K. Madan and Harish Dureja. Ligand- and structure-based pregnane X receptor models / Sandhya Kortagere, Matthew D. Krasowski, and Sean Ekins. Non-compartmental analysis / Johan Gabrielsson and Daniel Weiner. Compartmental modeling in the analysis of biological systems / James B. Bassingthwaighte [and others] Physiologically based pharmacokinetic/toxicokinetic modeling / Jerry L. Campbell [and others] Interspecies extrapolation / Elaina M. Kenyon. Population effects and variability / Jean Lou Dorne [and others] Mechanism-based pharmacodynamic modeling / Melanie A. Felmlee, Marilyn E. Morris, and Donald E. Mager
v. 2. Methods for building QSARs / James Devillers. Accessing and using chemical databases / Nikolai Nikolov [and others] From QSAR to QSIIR : searching for enhanced computational toxicology models / Hao Zhu. Mutagenicity, carcinogenicity, and other end points / Romualdo Benigni [and others] Classification models for safe drug molecules / A.K. Madan, Sanjay Bajaj, and Harish Dureja. QSAR and metabolic assessment tools in the assessment of genotoxicity / Andrew P. Worth, Silvia Lapenna, and Rositsa Serafimova. Gene expression networks / Reuben Thomas and Christopher J. Portier. Construction of cell type-specific logic models of signaling networks using CellNOpt / Melody K. Morris, Ioannis Melas, and Julio Saez-Rodriguez. Regulatory networks / Gilles Bernot, Jean-Paul Comet, and Christine Risso-de Faverney. Computational reconstruction of metabolic networks from KEGG / Tingting Zhou. Biomarkers / Harmony Larson [and others] Biomonitoring-based environmental public health indicators / Andrey I. Egorov, Dafina Dalbokova, and Michal Krzyzanowski. Modeling for regulatory purposes (risk and safety assessment) / Hisham El-Masri. Developmental toxicity prediction / Raghuraman Venkatapathy and Nina Ching Y. Wang. Predictive computational toxicology to support drug safety assessment / Luis G. Valerio Jr. Developing a practical toxicogenomics data analysis system utilizing open-source software / Takehiro Hirai and Naoki Kiyosawa. Systems toxicology from genes to organs / John Jack, John Wambaugh, and Imran Shah. Agent-based models of cellular systems / Nicola Cannata [and others] Linear algebra / Kenneth Kuttler. Ordinary differential equations / Jiří Lebl. On the development and validation of QSAR models / Paola Gramatica. Principal components analysis / Detlef Groth [and others] Partial least squares methods : partial least squares correlation and partial least square regression / Hervé Abdi and Lynne J. Williams. Maximum likelihood / Shuying Yang and Daniela De Angelis. Bayesian inference / Frederic Y. Bois.Digital Access - Book[sostavitelʹ N. Vladimirov ; redakt͡sionnai͡a kollegii͡a Kuznet͡sov F.F. ... et al.].Print 1982
- ArticleCseh G, Szabó IK, Láng T, Palkovits M.Brain Res Bull. 1978 Jul-Aug;3(4):293-7.The regional distribution of prostaglandins E and F in 24 different areas of the rat brain was studied. For bioassay the rat uterine horn preparation was used. Prior to bioassay the samples were purified with organic solvents and in some cases by chromatography on silica as well. For measurement of PGF2 alpha content in certain areas a radioimmunoassay was used. Each region was found to contain prostaglandins but in uneven concentrations. Highest concentration, related to the protein content, was present in the median eminence, 57.6 ng PGE and 34.4 ng PGF per mg protein. Parietal cortex, olfactory tubercle, cerebellar cortex, caudate nucleus, substantia nigra, and paraventricular nucleus are also rich in prostaglandins. Low values were found in frontal cortex, thalamus, and septum. The distribution of prostaglandins throughout the areas examined do not show any direct correlation with that of transmitter substances. The uneven distribution can be attributed to differences in the endogenous biosynthetic capacity of each region.