Chemoinformatics

Johann Gasteiger is the recipient of the 1991 Gmelin-Beilstein Medal of the German Chemical Society of Achievements in Computer Chemistry and the Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society (ACS) in 1997. Thomas Engel joined the research group headed by Johann Gasteiger at the University of Erlangen-Nuremberg and is specialist in chemoinformatics.

• IntroductionRepresentation of Molecular Structures Representation of Chemical ReactionsSearch MethodsThe DataDatabases/DatasourcesCalculation of Physicochemical EffectsCalculation of Structure DescriptorsMethods for Data AnalysisApplicationsFuture Directions

"The Handbook of Chemoinformatics is the first reference work to be exclusively devoted to this developing field from data to knowledge, and will set the standard as the premier information source for the next decade. This handbook is a must read for experts as well as students of chemistry and biology...rich in content...should find a place in every chemoinformaticians desk and every university library in the world..." M. Karthikeyan of the Digital Information Resource Center, National Chemical Laboratory, Pune, Indiawww.review.molecularsociety.org, 18 June 2004 "...certainly fills an empty niche...well written...the referencing and provided links are an excellent resource..." (Journal of Chemoetrics, Vol.18, No.6 June 2004) "...certainly fills an empty niche...well written...the referencing and provided links are an excellent resource..." Journal of Chemoetrics, Vol.18, No.6 June 2004