CSEARCH - News
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| 2021-06-08 |
533,795,172 13C-NMR spectra online for structure dereplication
Details are given here |
| 2021-06-04 |
Paper published - Additional data given
here
In case you want to try it yourself
click the logo |
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| 2021-05-31 |
Access to webserver changed from http to https |
| 2021-05-20 |
How to address the "CSEARCH Dereplication Engine" from another program (an own Graphical User Interface) ?
Details are given here |
| 2021-05-08 |
523,795,172 13C-NMR spectra online for structure dereplication
Details are given here |
| 2021-05-02 |
User-rating of results coming from the "Spectral-Similarity Search" implemented
Details are given here |
| 2021-04-08 |
513,795,172 13C-NMR spectra online for structure dereplication
Details are given here |
| 2021-04-04 |
Dereplication: Server #5 activated |
| 2021-03-08 |
508,795,172 13C-NMR spectra online for structure dereplication
Details are given here |
| 2021-02-16 |
503,795,172 13C-NMR spectra online for structure dereplication
Details are given here |
| 2021-01-31 |
500,000,000 13C-NMR spectra predicted - will be soon available for dereplication
"Only" 489 million online at the moment
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| 2020-12-07 |
Similarity Search has moved from "nmrpredict.orc.univie.ac.at" to
"c13nmr" - see dropdown-menu "Similarity Search" on
main-page
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| 2020-08-05 |
Status-page is online
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| 2020-07-04 |
Some links to the previous 'NMRPREDICT-Server' have to be modified - the
verification using "md5sum"-signatures are not furthermore working on these webpages, which are used for the examples
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| 2020-07-01 |
c13nmr.at: New Domain for CSEARCH-Webservices |
| 2020 |
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| 2019 |
Molecules: Special Issue on "NMR Spectroscopy in Natural Product Structure Elucidation"
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| 2015-09-04 |
New
features:
Create a private database:
Every user can select previously performed evaluations as reference database for upcoming
requests. It is strongly recommended to use only datasets of superior quality for this purpose.
This user-database is fully searchable and contributes to every prediction/evaluation as CSEARCH-databases do.
Donate spectra to the public:
There is a possibility to donate assignments after a predefined period of time for further use within CSEARCH-databases
Online help:
When hovering with the mouse-cursor over certain text-portions a descriptive help-text pops up
QR-codes in "CSEARCH2go":
Whenever it might make sense, QR-codes have been implemented into the resulting webpages allowing to transfer your data to your mobile devices quite easily
Similarity-Search will be automatically started:
Whenever the result of an evaluation is either "Minor Revision", "Major Revision" or "Reject", a Spectral Similarity Search using all predicted
13C-NMR spectra available will be launched using the given peaklist
|
| 2014-12-06 |
New
features:
Better
presentation of the result of the evaluation (feedback
from the Berlin 2014 presentation)
Summary of
all evaluations performed for a particular compound can be recalled (see table at
the end of each evaluation page)
Every
evaluation has a digital signature which can be verified online:
Manipulation of the resulting page is therefore impossible
(the chance to manipulate a page successfully is below 1 : 10**40
! For better understanding, this corresponds to the successful
isolation of one molecule out of approximately 10 PetaMoles of
substance)
The underlying distribution of each predicted value is analyzed in detail:
The result is given together with the predicted chemical shift value
|
| 2011 |
The motivation to create this website(Earlier located on "nmrpredict.orc.univie.ac.at")
Why do we need such a Robot-Referee for 13C-NMR assignments
based on high-quality data and excellent algorithms ?
The publication
The referee-report
The complete story
I am quite sure you agree, that we do not want to solve future
structure elucidation problems based on such "reference material" !
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