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 Classified - Confidential From: Zhenting Gao via Rdkit-discuss <rdkit-discuss@lists.sourceforge.net> Sent: Sunday, May 1, 2022 3:11 AM To: Marawan Hussien <marawanhuss...@yahoo.com>; rdkit-discuss@lists.sourceforge.net Subject: Re: [Rdkit-discuss] chemical database management software ATTENTION: This email was sent from outside the company. Do not click links or open files unless you know it is safe. Forward malicious emails to ph...@coca-cola.com<mailto:ph...@coca-cola.com>. Datawarrior is my favorite. ---Original--- From: "Marawan Hussien via Rdkit-discuss"<rdkit-discuss@lists.sourceforge.net<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>"<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 ________________________________ CONFIDENTIALITY NOTICE NOTICE: This message is intended for the use of the individual or entity to which it is addressed and may contain information that is confidential, privileged and exempt from disclosure under applicable law. If the reader of this message is not the intended recipient, you are hereby notified that any printing, copying, dissemination, distribution, disclosure or forwarding of this communication is strictly prohibited. If you have received this communication in error, please contact the sender immediately and delete it from your system. Thank You.
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