[Product Releases]
|
|
|
|
|
[Blog]
|
|
Most recent post
|
[News]
|
|
IBM's Systems & Technology Group releases a white paper with eHiTS & Cell Oct 2008 Virtual Screening by Flexible Docking on a PlayStation 3
Apr, 2008
EPA's ToxCastTM project will use SimBioSys' eHiTS as docking engine
Nov, 2007
|
[Events]
|
| 239th ACS
Mar 21-25, 2010 San Francisco, CA, USA
Talk #81
see >> more
|
|
|
|
|
Validation
Reference:
- Aniko T. Valko and A. Peter Johnson: "CLiDE Pro: The Latest Generation of CLiDE, a Tool for Optical Chemical Structure Recognition"
J. Chem. Inf. Model., 2009, 49 (4), pp 780-787
DOI: 10.1021/ci800449t
The following test set (as reported in Ref. 1) was processed
with CLiDE Pro in "batch mode". The images were processed and saved automatically.
No manual correction of the results was applied (although CLiDE gives opportunity
for this with various editors).
The input and output files along
with the corresponding processing times and success rate for the test set are provided below:
| Objects |
Total Number |
No. of objects containgin errors |
Success Rate |
Download |
Time |
| images |
454 |
52 |
88.55% | Input: dataset
Output: SDF files |
6 min for the total set ca. 1 sec / image |
| structure diagrams |
519 |
53 |
89.79% |
Below you'll find OLD1 data & results with CLiDE v2.1 - from the 20th century :-) (CLiDE Lite and Full v 2.1 were developed from 1991-1999)
Note-1:
These older datasets and results are kept only becauase the scientific community used these datasets as STANDARD
/ reference validation sets - i.e. the CLiDE development team under
the guidance of Prof. A. Peter Johnson showed leadership in
validating Chemical OCR methods from the early days.
HW
|
# images
|
Input files
|
Output
|
Proc. Time
|
366 MHz PII lap-top with 160 MB memory |
14
|
Input: 14 images
in Windows bitmap file format were processed |
Output
1: saved in MOL file format
Output 2: saved
in ChemDraw file format
Output 3 :
saved in CLiDE file format |
30 sec
|
900 MHz ATHLON PC with 768 MB memory |
8 sec
|
366 MHz PII lap-top with 160 MB memory |
96
|
Input: 96 images
in Windows bitmap file format were processed |
Output
1: saved in MOL file format
Output 2: saved
in ChemDraw file format
Output 3: saved
in CLiDE file format |
650 sec
(ca. 11 minutes)
|
900 MHz ATHLON PC with 768 MB memory |
230 sec
(ca. 4 minutes)
|
Some of the images in the validation
set can be viewed below (click on the image to see its processing details): |

|

|

|
|

|

|

|
|
|
|