I use Advanced Chemistry Development software, which is commercial, but I've
always been very pleased with their support. It has the added benefit that you
can view raw analytical data (NMR, LC-MS, etc.) from most any vendor and
combine structures with the raw data.
John
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From: Zhenting Gao via Rdkit-discuss
Sent: Sunday, May 1, 2022 3:11 AM
To: Marawan Hussien ;
rdkit-discuss@lists.sourceforge.net
Subject: Re: [Rdkit-discuss] chemical database management software
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---Original---
From: "Marawan Hussien via
Rdkit-discuss"mailto:rdkit-discuss@lists.sourceforge.net>>
Date: Sun, May 1, 2022 14:53 PM
To:
"rdkit-discuss@lists.sourceforge.net<mailto:rdkit-discuss@lists.sourceforge.net>"mailto:rdkit-discuss@lists.sourceforge.net>>;
Subject: [Rdkit-discuss] chemical database management software
Hello.
I am wondering if someone familiar with chemical database management software
(open source preferred) to keep records of chemical structures, assay records
as well as other metadata. Ideally with some SAR capabilities. I am looking
around and only a few solutions exist, and the propriety ones are pretty
expensive. If someone has a particular recommendation for a commercial one, it
will be also good to know.
Thanks
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