ebbiz |
Bogdan Iorga | Bogdan iorga |
459 |
0.19 |
0.03 |
0.28 |
0.04 |
d3r-gc4-score-phase-2-ligandscoringprotocol-bestscore |
cactvs chemoinformatics toolkit v3.433/schr_dinger suite 2018-1/corina v3.60/ucsf chimera v1.10.2/gold v5.2 |
structure_based_scoring |
4ys82 |
Eddy/ameerah/sarah/dyane Namur/furjun/naceri/zaarour | M2isdd students |
459 |
0 |
0.03 |
0.01 |
0.05 |
m2isdd_3ovx |
autodock vina 1.5.6/icon 4.2 |
structure_based_scoring |
c7005 |
Florian/mariem/rachel/indusha Bitoo/ghoula/blot/kugathas | Gautier moroy |
459 |
0.17 |
0.03 |
0.26 |
0.04 |
m2isdd_group_a_protocol |
icon as implemented in ligandscout 4.2 autodocktools 1.5.6 open-source pymol 1.8.x autodock vina 1.1.2 |
structure_based_scoring |
bcwap |
Bentley Wingert | Carlos camacho |
459 |
0.16 |
0.03 |
0.24 |
0.05 |
dock cross |
openbabel 2.3.2 smina apr 2 2016 |
structure_based_scoring |
qi5ev |
Duc Nguyen | Guo-wei wei |
459 |
0.48 |
0.03 |
0.67 |
0.03 |
deep-learning-package-dc |
ag/dg/tdl-bp/schrodinger |
structure_based_scoring |
umbvf |
Paul Francoeur | David koes |
459 |
0.02 |
0.03 |
0.03 |
0.05 |
blind cnn |
rdkit/gnina/smina |
structure_based_scoring |
i0rbd |
Menglun/duc Wang/nguyen | Guo-wei wei |
459 |
0.48 |
0.03 |
0.66 |
0.03 |
deep-learning-package-mlcl |
ag/dg/tdl-bp/schrodinger |
structure_based_scoring |
hx6xg |
Eddy/ameerah/sarah/dyane Namur/furjun/naceri/zaarour | M2isdd students |
459 |
0.02 |
0.03 |
0.02 |
0.05 |
m2isdd_3iej |
autodock vina 1.5.6/icon 4.2 |
structure_based_scoring |
vpnsh |
Xianjin Xu | Xiaoqin zou |
459 |
-0.1 |
0.03 |
-0.15 |
0.05 |
itscore2 |
itscore |
structure_based_scoring |
ufmt7 |
Rodrigo Quiroga | Villarreal marcos |
459 |
0.31 |
0.03 |
0.45 |
0.04 |
2vinardo-beta |
rdkit / mgltools/ smina (modified) |
structure_based_scoring |
hfd2g |
Hahnbeom Park | Institute for protein design |
459 |
0.22 |
0.03 |
0.31 |
0.04 |
rosettagadockranking1 |
rosetta (pre-release version, git hash fc616bc278565f41a234093f1dee53b196432524)/corina classic, webserver version/openbabel-2.4.1/antechamber-17.3 |
structure_based_scoring |
x4svd |
Polo Lam | Max totrov |
459 |
0.54 |
0.02 |
0.73 |
0.03 |
icm dock - iterative apf 3d qsar |
molsoft icm 3.8-7b |
structure_based_scoring |
zn6w4 |
Cynthia Chen | Rommie amaro |
459 |
-0.17 |
0.03 |
-0.25 |
0.05 |
maestro 2018/amber18/pyemma 2.5.4/openeye omega 2018/openeye docking 2018 |
maestro 2018/amber18/pyemma 2.5.4/openeye omega 2018/openeye docking 2018 |
structure_based_scoring |
rfoob |
Bentley Wingert | Carlos camacho |
459 |
0.25 |
0.03 |
0.37 |
0.04 |
dock close |
openbabel 2.3.2 smina apr 2 2016 |
structure_based_scoring |
ejijg |
Hahnbeom Park | Institute for protein design |
459 |
0.2 |
0.03 |
0.29 |
0.05 |
rosettagadockranking2 |
rosetta (pre-release version, git hash fc616bc278565f41a234093f1dee53b196432524)/corina classic, webserver version/openbabel-2.4.1/antechamber-17.3 |
structure_based_scoring |
kohoc |
Duc Nguyen | Guo-wei wei |
459 |
0.48 |
0.03 |
0.67 |
0.03 |
deep learning package |
ag/dg/tdl-bp/schrodinger |
structure_based_scoring |
f5tvg |
Alejandro Varela rial | Gianni de fabritiis |
459 |
0.19 |
0.03 |
0.28 |
0.05 |
skeledock kdeep |
htmd1.13.8/rdkit2018.03.4/kdeep |
structure_based_scoring |
7pmy0 |
Oleg Stroganov | Biomoltech inc. |
459 |
0.09 |
0.03 |
0.14 |
0.05 |
lead finder reparametrized on a limited dataset |
lead finder |
structure_based_scoring |
ixw4k |
| |
459 |
0.23 |
0.03 |
0.35 |
0.04 |
drugitt docking protocol |
in-house |
structure_based_scoring |
qb2s2 |
Kaifu/duc Gao/nguyen | Guo-wei wei |
459 |
0.52 |
0.02 |
0.71 |
0.03 |
deep-learning-package-dc |
ag/dg/tdl-bp/schrodinger |
structure_based_scoring |
32ugf |
Florian/mariem/rachel/indusha Bitoo/ghoula/blot/kugathas | Gautier moroy |
459 |
0.17 |
0.03 |
0.25 |
0.04 |
m2isdd_group_a_protocol |
icon as implemented in ligandscout 4.2 autodocktools 1.5.6 open-source pymol 1.8.x autodock vina 1.1.2 |
structure_based_scoring |
da0uv |
Xianjin Xu | Xiaoqin zou |
459 |
0 |
0.03 |
0 |
0.05 |
cnnscore-cats |
tensorflow |
structure_based_scoring |
ut3od |
Paul Francoeur | David koes |
459 |
0.21 |
0.03 |
0.31 |
0.04 |
blind autodock vina |
rdkit/gnina/smina |
structure_based_scoring |
6vxic |
Cynthia Chen | Rommie amaro |
459 |
-0.05 |
0.03 |
-0.08 |
0.05 |
maestro 2018/amber18/gromacs 2018.3/openeye omega 2018/openeye docking 2018 |
maestro 2018/amber18/gromacs 2018.3/openeye omega 2018/openeye docking 2018 |
structure_based_scoring |
3x6na |
Menglun/duc Wang/nguyen | Guo-wei wei |
459 |
0.41 |
0.03 |
0.58 |
0.04 |
deep-learning-package-mlc |
ag/dg/tdl-bp/schrodinger |
structure_based_scoring |
mj5r5 |
Yuwei Yang | Yingkai zhang |
459 |
0.23 |
0.03 |
0.34 |
0.04 |
smina |
smina 2017.4.29 |
structure_based_scoring |
pok3c |
Xianjin Xu | Xiaoqin zou |
459 |
0.05 |
0.03 |
0.08 |
0.05 |
cnnscore-pl |
tensorflow |
structure_based_scoring |
ftxsv |
Paul Francoeur | David koes |
459 |
-0.03 |
0.03 |
-0.04 |
0.05 |
aligned cnn |
rdkit/gnina/smina |
structure_based_scoring |
cak8o |
Eddy/ameerah/sarah/dyane Namur/furjun/naceri/zaarour | M2isdd students |
459 |
-0.05 |
0.03 |
-0.08 |
0.05 |
m2isdd_1glo |
autodock vina 1.5.6/icon 4.2 |
structure_based_scoring |
pacij |
Paul Francoeur | David koes |
459 |
0 |
0.03 |
0.01 |
0.05 |
aligned autodock vina |
rdkit/gnina/smina |
structure_based_scoring |
dp8yf |
Cynthia Chen | Rommie amaro |
459 |
-0.02 |
0.03 |
-0.03 |
0.05 |
maestro 2018/amber18/pyemma 2.5.4/openeye omega 2018/openeye docking 2018 |
maestro 2018/amber18/pyemma 2.5.4/openeye omega 2018/openeye docking 2018 |
structure_based_scoring |
4upy8 |
Yuwei Yang | Yingkai zhang |
459 |
0.21 |
0.03 |
0.3 |
0.05 |
deltavinafragxgb_c |
chimera(version 1.10.2)/xgboost(version 0.80)/rdkit(version 2018.03.3)/python(version 3.6.3)/msms(version 2.6.1)/mgltools(version 1.5.6)/openbabel(version 2.4.1)/autodock vina(version 1.1.2) |
structure_based_scoring |
qctqm |
Yuwei Yang | Yingkai zhang |
459 |
0.14 |
0.03 |
0.2 |
0.05 |
deltavinafragxgb_b |
chimera(version 1.10.2)/xgboost(version 0.80)/rdkit(version 2018.03.3)/python(version 3.6.3)/msms(version 2.6.1)/mgltools(version 1.5.6)/openbabel(version 2.4.1)/autodock vina(version 1.1.2) |
structure_based_scoring |
e3hk3 |
Antonia Mey | Julien michel |
459 |
0.04 |
0.03 |
0.06 |
0.05 |
scoring with flare |
flare 2.0 revision 34140 |
structure_based_scoring |
jfnt7 |
Cynthia Chen | Rommie amaro |
459 |
-0.08 |
0.03 |
-0.11 |
0.05 |
maestro 2018/amber18/openeye omega 2018/openeye docking 2018 |
maestro 2018/amber18/openeye omega 2018/openeye docking 2018 |
structure_based_scoring |
hpwia |
Oleg Stroganov | Biomoltech inc. |
459 |
0.18 |
0.03 |
0.27 |
0.05 |
lead finder reparametrized on an extended dataset |
lead finder |
structure_based_scoring |
0xvrb |
Duc Nguyen | Guo-wei wei |
459 |
0.53 |
0.02 |
0.73 |
0.03 |
deep-learning-package-d |
ag/dg/tdl-bp/schrodinger |
structure_based_scoring |
3c8nw |
Kaifu/duc Gao/nguyen | Guo-wei wei |
459 |
0.53 |
0.02 |
0.73 |
0.03 |
deep-learning-package-d |
ag/dg/tdl-bp/schrodinger |
structure_based_scoring |
k5bif |
Bentley Wingert | Carlos camacho |
459 |
0.23 |
0.03 |
0.33 |
0.04 |
dock cross |
openbabel 2.3.2 smina apr 2 2016 |
structure_based_scoring |
szm4c |
Bogdan Iorga | Bogdan iorga |
459 |
0.17 |
0.03 |
0.26 |
0.04 |
d3r-gc4-score-phase-2-ligandscoringprotocol-bestrmsd |
cactvs chemoinformatics toolkit v3.433/schr_dinger suite 2018-1/corina v3.60/ucsf chimera v1.10.2/gold v5.2 |
structure_based_scoring |
brzue |
Woong-hee Shin | Daisuke kihara |
459 |
0.21 |
0.03 |
0.31 |
0.04 |
pl-patchsurfer2 |
openbabel, omega, and pl-patchsurfer2 |
structure_based_scoring |
0jzqr |
| |
459 |
0.23 |
0.03 |
0.35 |
0.04 |
drugitt docking protocol |
in-house |
structure_based_scoring |
8gn6b |
Oleg Stroganov | Biomoltech inc. |
459 |
0.28 |
0.03 |
0.42 |
0.04 |
leadfinder machine learning predictions |
leadfinder, h2o.ai, r |
structure_based_scoring |