Difference between revisions of "De novo Benchmarking"

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|- style="background:cornflowerblue"
 
|- style="background:cornflowerblue"
 
| <center>'''Date, Author'''</center>
 
| <center>'''Date, Author'''</center>
 +
| <center>'''Scoring Function'''</center>
 
| <center>'''Sampling Method'''</center>
 
| <center>'''Sampling Method'''</center>
 
| <center>'''Average # Built'''</center>
 
| <center>'''Average # Built'''</center>
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| <center>2015.11.01, Yuchen</center>
+
| <center>dn paper-2017, BFochtman, WJAllen</center>
| <center>PR, Grid</center>
+
| <center>SGE</center>
| <center>Success 73.1% Scoring 17.5% Sampling 9.4%</center>
+
| <center>standard</center>
| <center>263</center>
+
| <center>169.6</center>
| <center>DOCK6.8.2015.10.30</center>
+
| <center>18.2</center>
| <center>-</center>
+
| <center>72.4</center>
 +
| <center>40.6</center>
 +
| <center>27.9</center>
 +
| <center>3,317</center>
 +
| <center>dock.6.7_2015-02-17.denovo_paper.2016.05.04_print</center>
 
|-
 
|-
  

Revision as of 11:49, 3 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
2015.11.01, Yuchen
PR, Ph4
Success 94.5% Scoring 1.8% Sampling 3.6%
1029
DOCK6.8.2015.10.30
-
2015.11.01, Yuchen
PR, desc_Ph4
Success 94.5% Scoring 1.8% Sampling 3.6%
1077
DOCK6.8.2015.10.30
-