Milestones in chemoinformatics: global view of the field

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.

Citation information

Bajorath, Jürgen: Milestones in chemoinformatics: global view of the field, Journal of Cheminformatics, 2024, 16, 1, 124, November, https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00922-0, Bajorath.2024c,

Associated Lamarr Researchers

lamarr institute person Bajorath Juergen - Lamarr Institute for Machine Learning (ML) and Artificial Intelligence (AI)

Prof. Dr. Jürgen Bajorath

Area Chair Life Sciences to the profile