Difference between revisions of "De novo Benchmarking"

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|-
 
|-
  
 
+
| <center>dn paper-2017, BFochtman, WJAllen</center>
| <center>2015.11.01, Yuchen</center>
+
| <center>FPS</center>
| <center>PR, Ph4</center>
+
| <center>standard</center>
| <center>Success 94.5% Scoring 1.8% Sampling 3.6%</center>
+
| <center>182.1</center>
| <center>1029</center>
+
| <center>17.1</center>
| <center>DOCK6.8.2015.10.30</center>
+
| <center>72.5</center>
| <center>-</center>
+
| <center>43.9</center>
 +
| <center>34.5</center>
 +
| <center>2,995</center>
 +
| <center>dock.6.7_2015-02-17.denovo_paper.2016.05.04_print</center>
 
|-
 
|-
 
+
| <center>dn paper-2017, BFochtman, WJAllen</center>
 
+
| <center>SGE+FMS</center>
| <center>2015.11.01, Yuchen</center>
+
| <center>standard</center>
| <center>PR, desc_Ph4</center>
+
| <center>162.8</center>
| <center>Success 94.5% Scoring 1.8% Sampling 3.6%</center>
+
| <center>18.1</center>
| <center>1077</center>
+
| <center>73.6</center>
| <center>DOCK6.8.2015.10.30</center>
+
| <center>48.4</center>
| <center>-</center>
+
| <center>43.1</center>
 +
| <center>2,990</center>
 +
| <center>dock.6.7_2015-02-17.denovo_paper.2016.05.04_print</center>
 +
|-
 +
| <center>dn paper-2017, BFochtman, WJAllen</center>
 +
| <center>MGE+TAN</center>
 +
| <center>standard</center>
 +
| <center>180.2</center>
 +
| <center>19.8</center>
 +
| <center>84.9</center>
 +
| <center>51.1</center>
 +
| <center>38.5</center>
 +
| <center>14,080</center>
 +
| <center>dock.6.7_2015-02-17.denovo_paper.2016.05.04_print</center>
 +
|-
 +
| <center>dn paper-2017, BFochtman, WJAllen</center>
 +
| <center>MGE+FPS</center>
 +
| <center>standard</center>
 +
| <center>149.7</center>
 +
| <center>18.2</center>
 +
| <center>73.9</center>
 +
| <center>46.0</center>
 +
| <center>36.3</center>
 +
| <center>3,327</center>
 +
| <center>dock.6.7_2015-02-17.denovo_paper.2016.05.04_print</center>
 +
|-
 +
| <center>dn paper-2017, BFochtman, WJAllen</center>
 +
| <center>MGE+FPS</center>
 +
| <center>enhanced</center>
 +
| <center>636.7</center>
 +
| <center>38.7</center>
 +
| <center>83.3</center>
 +
| <center>57.3</center>
 +
| <center>46.8</center>
 +
| <center>20,637</center>
 +
| <center>dock.6.7_2015-02-17.denovo_paper.2016.05.04_print</center>
 
|-
 
|-

Revision as of 13:50, 9 October 2017

Date, Author
Scoring Function
Sampling Method
Average # Built
Average # Unique
% Chem Identity Built
% Pose Identity Built
% Pose Identity Unique
Timing (s)
dn DOCK Version
dn paper-2017, BFochtman, WJAllen
SGE
standard
169.6
18.2
72.4
40.6
27.9
3,317
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
dn paper-2017, BFochtman, WJAllen
FPS
standard
182.1
17.1
72.5
43.9
34.5
2,995
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
dn paper-2017, BFochtman, WJAllen
SGE+FMS
standard
162.8
18.1
73.6
48.4
43.1
2,990
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
dn paper-2017, BFochtman, WJAllen
MGE+TAN
standard
180.2
19.8
84.9
51.1
38.5
14,080
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
dn paper-2017, BFochtman, WJAllen
MGE+FPS
standard
149.7
18.2
73.9
46.0
36.3
3,327
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print
dn paper-2017, BFochtman, WJAllen
MGE+FPS
enhanced
636.7
38.7
83.3
57.3
46.8
20,637
dock.6.7_2015-02-17.denovo_paper.2016.05.04_print