Press "Enter" to skip to content

Download Computational Toxicology: Risk Assessment for Pharmaceutical by Sean Ekins PDF

By Sean Ekins

A accomplished research of state of the art molecular modeling ways and methods utilized to possibility evaluation for pharmaceutical and environmental chemicalsThis particular quantity describes how the interplay of molecules with toxicologically correct pursuits will be envisioned utilizing computer-based instruments using X-ray crystal constructions or homology, receptor, pharmacophore, and quantitative constitution job dating (QSAR) types of human proteins. It covers the in vitro types used, more recent applied sciences, and regulatory elements. The ebook deals a whole structures standpoint to hazard evaluate prediction, discussing experimental and computational techniques intimately, with:*An advent to toxicology tools and a proof of computational methods*In-depth reports of QSAR tools utilized to enzymes, transporters, nuclear receptors, and ion channels*Sections on utilizing pcs to toxicology overview within the pharmaceutical and within the environmental arena*Chapters written via best foreign experts*Figures that illustrate computational types and references for extra informationThis is a key source for toxicologists and scientists within the pharmaceutical and environmental sciences in addition to researchers enthusiastic about ADMET, drug discovery, and expertise and software program improvement.

Show description

Read Online or Download Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals (Wiley Series on Technologies for the Pharmaceutical Industry) PDF

Similar chemistry books

Microfluidic Lab-on-a-Chip for Chemical and Biological Analysis and Discovery

The microfluidic lab-on-a-chip permits scientists to behavior chemical and biochemical research in a miniaturized structure so small that houses and results are effectively superior, and techniques seamlessly built-in. This microscale virtue interprets into higher sensitivity, extra actual effects, and higher info.

Phenomena in Mixed Surfactant Systems

Content material: an summary of phenomena concerning surfactant combos / John F. Scamehorn -- Nonideal combined micelles : thermodynamic versions and experimental comparisons / Irvin W. Osborne-Lee and Robert S. Schechter -- New mathematical types of combined micellization / Robert F. Kamrath and Elias I. Franses -- A learn of combined aqueous ideas of hydrocarbon and fluorocarbon surfactants utilizing 8-anilino-1-naphthalenesulfonic acid ammonium salt / Kenjiro Meguro, Yasushi Muto, Fujio Sakurai, and Kunio Esumi -- answer homes of combined surfactant structures : the interplay among azo oil dyes and combined surfactant structures / Keizo Ogino and Masahiko Abe -- Thermodynamics of the combined micellar procedure sodium decanoate-2-butoxyethanol in water at 25 °C / Fumitaka Yamashita, Gérald Perron, Jacques E.

Additional resources for Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals (Wiley Series on Technologies for the Pharmaceutical Industry)

Sample text

More than 90% of the industry’s “drug candidates” fail because of one reason or another [1]. If the industry can improve their failure analysis such that they can predict and avoid just 10% of the eventual failures, it can bring significant cost savings to the industry. Among the various reasons for drug failures, lack of drug efficacy and presence of dose-limiting toxicity came at the top [1]. It therefore comes as no surprise that almost all major pharmaceutical companies have dedicated at least some resources to the better predictions of drug toxicity by developing, evaluating, and applying a variety of computational tools.

Less commonly, stimulants such as cocaine and amphetamine can cause psychiatric problems. Psychiatric effects of high doses of corticosteroids have also been described. In addition to the developmental retardation, some investigators believe that cognitive impairment, hyperactivity, and perhaps even antisocial behavior may be caused by childhood lead exposure. Public discussion of these subtle toxic effects is highly politicized because childhood exposure to lead still occurs as a risk factor in slums and tenements.

Many of the fields of study and types of toxicology are described below. These efforts are very broad and entail the use of many disciplines. 6 FIELDS OF EXPERTISE WITHIN TOXICOLOGY Toxicology can be classified according to the effects on the organ systems damaged. Alternatively, it can be classified according to the mechanisms of toxicity. Almost anything that can go wrong with almost any tissue in the body will occur. Each of these areas comprises its own realm of toxicological expertise. We will first examine several examples of organ-based toxicity.

Download PDF sample

Rated 4.52 of 5 – based on 6 votes