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Editorial
. 2022 Apr 14;27(8):2542.
doi: 10.3390/molecules27082542.

Advancing Cheminformatics-A Theme Issue in Honor of Professor Jürgen Bajorath

Martin Vogt  1
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Editorial

Advancing Cheminformatics-A Theme Issue in Honor of Professor Jürgen Bajorath

Martin Vogt. Molecules. .

Abstract

While cheminformatics problems have been actively researched since the early 1960s, as witnessed by the QSAR approaches developed by Toshio Fujita and Corwin Hansch [...].

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Conflict of interest statement

The authors declare no conflict of interest.

References

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    1. Brown F.K. Chemoinformatics: What is it and how does it impact drug discovery. Annu. Rep. Med. Chem. 1998;33:375–384. doi: 10.1016/S0065-7743(08)61100-8. - DOI
    1. Xue L., Godden J.W., Gao H., Bajorath J. Identification of a preferred set of molecular descriptors for compound classification based on principal component analysis. J. Chem. Inf. Comput. Sci. 1999;39:699–704. doi: 10.1021/ci980231d. - DOI
    1. Xue L., Godden J.W., Bajorath J. Database searching for compounds with similar biological activity using short binary bit string representations of molecules. J. Chem. Inf. Comput. Sci. 1999;39:881–886. doi: 10.1021/ci990308d. - DOI - PubMed
    1. Vogt M. Progress with modeling activity landscapes in drug discovery. Expert Opin. Drug Discov. 2018;13:605–615. doi: 10.1080/17460441.2018.1465926. - DOI - PubMed

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