Milestones in chemoinformatics: global view of the field
Jürgen Bajorath
Abstract
Over the past ~ 25 years, chemoinformatics has evolved as a scientific discipline, with a strong foundation in pharmaceutical research and scientific roots that can be traced back to the late 1950s. It covers a wide methodological spectrum and is perhaps best positioned in the greater context of chemical information science. Herein, the chemoinformatics discipline is delineated, characteristic (and partly problematic) features are discussed, and a global view of the field is provided, emphasizing key developments.
Topics & Concepts
CheminformaticsField (mathematics)Computer scienceData scienceData miningChemistryMathematicsComputational chemistryPure mathematicsComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesBioinformatics and Genomic Networks