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. 2022 Apr 15;36(4):291–311. doi: 10.1007/s10822-022-00452-7

Table 3.

Overview of the Stage 3 follow-ups enumeration submissions. 4 sets of predictions were submitted for stage 3. The first, second, third and fourth columns correspond to the submission identification number (SID), the affiliation of the participants, the method’s name and the list of software used

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)