Chemoinformatics in drug discovery.RS418 3-527-30753-2 Chemoinformatics in drug discovery. Title main entry. Ed. by Tudor I. Oprea. (Methods and principles in medicinal chemistry Medicinal or pharmaceutical chemistry is a scientific discipline at the intersection of chemistry and pharmacology involved with designing, synthesizing and developing pharmaceutical drugs. ; v.23) Wiley-VCH, [c]2005 493 p. $185.00 Seventeen chapters present detailed, thoughtful material on many aspects of chemoinformatics, with frequent references to current trends in industry. Garland R. Marshall (computational biology Not to be confused with Biologically-inspired computing. Computational biology is an interdisciplinary field that applies the techniques of computer science, applied mathematics, and statistics to address problems inspired by biology. , Washington U. School of Medicine, St. Louis) contributed an introductory overview. Other chapters are grouped into the main topics of virtual screening, hit and lead discovery, databases and libraries, and applications. Individual chapter topics include structure modification in chemical databases, strategy for directed compound acquisition, enhancing hit quality and diversity within assay throughput constraints, and algorithmic engines in virtual screening. The 50 contributors work for pharmaceutical companies and in academia in the US, Germany, Romania, France, Switzerland, and the UK. Oprea, who trained in Romania and the US, teaches biochemistry biochemistry, science concerned chiefly with the chemistry of biological processes; it attempts to utilize the tools and concepts of chemistry, particularly organic and physical chemistry, for elucidation of the living system. and molecular biology molecular biology, scientific study of the molecular basis of life processes, including cellular respiration, excretion, and reproduction. The term molecular biology was coined in 1938 by Warren Weaver, then director of the natural sciences program at the Rockefeller at the U. of New Mexico New Mexico, state in the SW United States. At its northwestern corner are the so-called Four Corners, where Colorado, New Mexico, Arizona, and Utah meet at right angles; New Mexico is also bordered by Oklahoma (NE), Texas (E, S), and Mexico (S). School of Medicine in Albuquerque. |
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