Difference between revisions of "De novo Benchmarking"

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Line 106: Line 106:
 
| <center>MGS+(-50)TAN</center>
 
| <center>MGS+(-50)TAN</center>
 
| <center>standard</center>
 
| <center>standard</center>
−
| <center>587.1</center>
+
| <center>140.6</center>
−
| <center>37.3</center>
+
| <center>17.9</center>
−
| <center>81.9</center>
+
| <center>75.7</center>
−
| <center>67.2</center>
+
| <center>43.3</center>
−
| <center>53.2</center>
+
| <center>34.8</center>
−
| <center>14,711.7</center>
+
| <center>4,231.6</center>
 
| <center>dock6.8_merge_08.02.2017_defaults</center>
 
| <center>dock6.8_merge_08.02.2017_defaults</center>
 
|-
 
|-

Revision as of 11:10, 31 January 2018

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
2017.09.26_LPrentis
MGE+FPS
standard
140.3
17.6
73.9
58.0
47.5
2,537.8
dock6.8_merge_08.02.2017_defaults
2017.09.26_LPrentis
MGE+FPS
enhanced
587.1
37.3
81.9
67.2
53.2
14,711.7
dock6.8_merge_08.02.2017_defaults
2018.01.30_LPrentis
MGS+(-50)TAN
standard
140.6
17.9
75.7
43.3
34.8
4,231.6
dock6.8_merge_08.02.2017_defaults
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