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ZENODO
Dataset . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
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LigPhoreSet and CpxPhoreSet for training DiffPhore

Authors: Yu, Junlin;

LigPhoreSet and CpxPhoreSet for training DiffPhore

Abstract

To train DiffPhore, we developed two 3D ligand-pharmacophore datasets, LigPhoreSet and CpxPhoreSet, which incorporate pharmacophore models derived from ligand conformations and protein-ligand complex structures, respectively. These datasets encompass a broad range of chemical and pharmacophore diversity. LigPhoreSet and CpxPhoreSet include both perfectly and imperfectly matched samples, providing a robust training framework for DiffPhore to learn diverse binding scenarios.

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    popularity
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average