faulon

Editors Faulon (biology, U. of Evry, France), Bender (chemoinformatics and pharmaceutical IT, U. of Cambridge), and 20 contributors explore current developments in handling chemical information electronically, otherwise known as chemoinformatics. The field has accelerated in recent decades as computing power has grown substantially. Subjects addressed include: representing two-dimensional chemical structures with molecular graphs, ligand-and structure-based virtual screening, structure enumeration and sampling, computer-aided molecular design (inverse design and de novo design), reaction network generation, and machine learning-based bioinformatics algorithms and their application to chemicals. Annotation 穢2010 Book News, Inc., Portland, OR (booknews.com)