Table 3.
SID | Participant Affiliation | Method Name | Method category | Software used |
---|---|---|---|---|
82 | Peking University | XGboost_gnina_Yu | Docking, ML |
rdkit xgboost gnina |
85 | Acellera | SkeleDock-rDock | Docking |
SkeleDock RDKit HTMD rDock |
86 | Institut de Chimie des Substances Naturelles, CNRS, Gif-sur-Yvette, France | ranking_stage3 | Docking |
Schrodinger LigPrep v48012 CACTVS Chemoinformatics Toolkit V3.4.6.26 CORINA v4.2.0 CCDC GOLD v5.7.1 (CSDS-2019-1) |
87 |
The University of Tokyo, Japan SHaLX Inc. |
Template filtering then template docking | Docking |
RDKit (2018.09.1) Molegro Virtual Docker (7.0.0) |