It would be good to have the opportunity to contribute to libraries for the analysis of lesser-observed structures such as natural compounds, and the chenomx software is a very good tool for locating and comparing spectra. Problem is how to recompensate chenomx for this as they are a commercial company, they are also very demanding and protective of their reputation - so for broad release they prefer to do the work of standardising and validating the spectra themselves. Similar problems also exist with other libraries such as MetIDB who are very exacting for the submission of entries. Obviously screening of compounds such as natural products is unmatched by NMR, but searching through the literature is very time consuming and taxing - though in comparison to the work involved in determining a structure and assigning its spins, the work is less. But either way it is a lot for what many times will turn out to be known and reported structures. With an open-contribution library, if the demands for adding to the library are too lax, then the quality of the entries may suffer. So it is a dilemma. There is also the question of recognition and/or recompense for not only the maintainers of the library, but also the contributors. Why to bother contributing your spectra if you get nothing in return, especially if it takes a considerable amount of effort ?
Any ideas or solutions out there ?
Best,
KDK
________________________________
From: Hu, Weidong [WHu_at_coh.org]
Sent: 30 May 2014 01:47
To: ammrl_at_ammrl.org
Subject: AMMRL: Chenomx custom compound library
Hi Chenomx customers,
I am using chenomx software to analyze cell extracts. Some interested compounds like D-Fructose-2,6-biphosphate, D-Fructose-6-phosphate, D-Fructose-1,6-Biphosphate and D-Fructose-1-phosphate are not listed in the compound library comes with the software. Chenomx says users can build their own compound and exchange their own compound in .xcpd format. To build our own compound, we need to purchase extra license for module compound builder. I am wondering are there any chenomx users have custom built compounds to share, especially those Fructose derivatives mentioned above.
Thank you very much!
Weidong
Dr. Weidong Hu, Research Professor
Immunology Division, City of Hope National Medicial Center
Tel: 626 359 8111, Ext 63416
---------------------------------------------------------------------
*SECURITY/CONFIDENTIALITY WARNING:
This message and any attachments are intended solely for the individual or entity to which they are addressed. This communication may contain information that is privileged, confidential, or exempt from disclosure under applicable law (e.g., personal health information, research data, financial information). Because this e-mail has been sent without encryption, individuals other than the intended recipient may be able to view the information, forward it to others or tamper with the information without the knowledge or consent of the sender. If you are not the intended recipient, or the employee or person responsible for delivering the message to the intended recipient, any dissemination, distribution or copying of the communication is strictly prohibited. If you received the communication in error, please notify the sender immediately by replying to this message and deleting the message and any accompanying files from your system. If, due to the security risks, you do not wish to receive further communications via e-mail, please reply to this message and inform the sender that you do not wish to receive further e-mail from the sender. (fpc5p)
---------------------------------------------------------------------
Received on Sun Jun 01 2014 - 01:32:53 MST