fzc8x |
| |
154 |
0.16 |
0.05 |
0.24 |
0.08 |
chembl/knime-rf |
knime |
ligand_based_scoring |
xik76 |
Benjamin Brown | Jens meiler |
154 |
0.22 |
0.06 |
0.32 |
0.08 |
bcl standard ann qsar |
bcl v3.5, corina v4.1.0 |
ligand_based_scoring |
aurst |
Dima Kozakov | Dima kozakov |
154 |
0.11 |
0.05 |
0.17 |
0.08 |
gradientboostingregressor |
rdkit, sklearn |
ligand_based_scoring |
vxcej |
Thomas Evangelidis | Thomas evangelidis |
154 |
0.17 |
0.06 |
0.25 |
0.08 |
deepscaffopt_fcfp_ecfp_2dpp_rdk5 |
deepscaffopt |
ligand_based_scoring |
ep83d |
Thomas Evangelidis | Thomas evangelidis |
154 |
0.2 |
0.05 |
0.28 |
0.08 |
deepscaffopt_onlyfcfp |
deepscaffopt |
ligand_based_scoring |
r6xwr |
Thomas Evangelidis | Thomas evangelidis |
154 |
0.17 |
0.06 |
0.25 |
0.08 |
deepscaffopt_fcfp_ecfp |
deepscaffopt |
ligand_based_scoring |
x073s |
Jamal Shamsara | Jamal shamsara |
154 |
0.25 |
0.05 |
0.36 |
0.07 |
qsar |
python2.7, scikit-learn, rdkit |
ligand_based_scoring |
qbia3 |
| |
154 |
0.23 |
0.05 |
0.33 |
0.07 |
neural network model / ecfp |
rdkit (2018.03.4), keras (2.2.2) |
ligand_based_scoring |
y2fc4 |
Benjamin Brown | Jens meiler |
154 |
0.21 |
0.05 |
0.3 |
0.08 |
bcl standard ann qsar |
bcl v3.5, corina v4.1.0 |
ligand_based_scoring |
pzdop |
Thomas Evangelidis | Thomas evangelidis |
154 |
0.16 |
0.06 |
0.23 |
0.08 |
deepscaffopt_onlyecfp |
deepscaffopt |
ligand_based_scoring |