
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.
| 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). | 1 | |
| 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. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
