Crossmark

Enhancing accuracy of virtual kinase profiling via application of graph neural network to 3D pharmacophore ensembles

Crossref DOI link: https://doi.org/10.1007/s10822-025-00666-5

Published Online: 2025-09-26

Published Print: 2025-12

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Ereshchenko, Alexey https://orcid.org/0000-0002-7435-5643
Evteev, Sergei https://orcid.org/0000-0003-2179-3508
Malyshev, Alexander https://orcid.org/0000-0002-5308-1698
Adjugim, Denis https://orcid.org/0009-0003-5570-4638
Sizov, Fedor https://orcid.org/0009-0006-3400-6728
Pastukhova, Anna

Terentiev, Victor https://orcid.org/0000-0001-7799-9383
Shegai, Petr https://orcid.org/0000-0001-9755-1164
Kaprin, Andrey https://orcid.org/0000-0001-8784-8415
Ivanenkov, Yan https://orcid.org/0000-0002-8968-0879
License Information

Text and Data Mining valid from 2025-09-26

Version of Record valid from 2025-09-26
More Information

Article History

Received: 12 May 2025

Accepted: 9 September 2025

First Online: 26 September 2025

Declarations

:

: The authors declare no conflict of interest.