NNGeoGVS: A Unified Equivariant Graph Neural Network Framework for Integrated Structure and Ligand-based Virtual Screening.

Yadam SC, Singamsetty PK

DOI: 10.2174/0115734099527526261007151436
Published: 2026 Oct 9
Container: Current computer-aided drug design
Publisher: Not recorded
Open access: no

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Cite this work

BibTeX

@article{allodium:10.2174/0115734099527526261007151436,
  title = {NNGeoGVS: A Unified Equivariant Graph Neural Network Framework for Integrated Structure and Ligand-based Virtual Screening.},
  author = {Yadam SC and Singamsetty PK},
  year = {2026},
  journal = {Current computer-aided drug design},
  doi = {10.2174/0115734099527526261007151436},
  url = {https://doi.org/10.2174/0115734099527526261007151436}
}

RIS

TY  - JOUR
TI  - NNGeoGVS: A Unified Equivariant Graph Neural Network Framework for Integrated Structure and Ligand-based Virtual Screening.
AU  - Yadam SC
AU  - Singamsetty PK
PY  - 2026
JO  - Current computer-aided drug design
DO  - 10.2174/0115734099527526261007151436
UR  - https://doi.org/10.2174/0115734099527526261007151436
ER  -

APA

SC, Y., & PK, S. (2026). NNGeoGVS: A Unified Equivariant Graph Neural Network Framework for Integrated Structure and Ligand-based Virtual Screening.. Current computer-aided drug design. https://doi.org/10.2174/0115734099527526261007151436

Source records

pubmed · retrieved 2026-11-10T15:12:31.734Z
europe-pmc · retrieved 2026-11-10T15:12:31.735Z