Compound Registration

How can I register a compound with parent multiplicity 2 and salt multiplicity 3?
On the Registration, Submission or Browse-Edit page you can add the salt or solvate then set the appropriate multiplicity. After setting the salt/solvate mu...
Wed, 23 Jan, 2019 at 3:31 PM
Can I register multicomponent structures?
Yes, different types of multi-component compounds exist, based on the level of accuracy of the composition information: alternate, formulation, and mixture....
Wed, 23 Jan, 2019 at 3:09 PM
Can I register multi fragment structures?
Multifragment structures can be registered, and are handled as a single molecule. Fragments representing salts/solvates can be automatically extracted and co...
Wed, 23 Jan, 2019 at 3:09 PM
Can I register dimer structures by drawing the monomer and setting 2 for the parent multiplicity?
No. Greater than 1 parent multiplicities must be used with salt/solvate info. For registering dimer structures you must draw or import the dimer.​​​​
Wed, 23 Jan, 2019 at 3:15 PM
Can I register peptides?
Yes. Peptides can be registered as single-type structures. Peptides are stored with all their atoms as chemical entities. Using Marvin JS structure editor, p...
Wed, 23 Jan, 2019 at 3:16 PM
Can I register polymers?
Yes. Polymers can be registered as single-type structures, but as multi-component compounds as well. In order to register as single structures, you can just...
Wed, 23 Jan, 2019 at 3:30 PM
Can I register Markush structures?
Yes, it is possible to register Markush structures within the system. The registered Markush structures are stored separately, but treated the same way as a...
Wed, 23 Jan, 2019 at 3:39 PM
Can I bulk register structures?
Yes, there is a specific Upload option for this purpose. You can load an SDFile and map its fields to the appropriate Compound Registration fields (or use a...
Wed, 23 Jan, 2019 at 3:40 PM
Can I configure the system to store my compounds only on 2 levels (parent-lot)?
It is possible to configure the system to hide the version level on all the GUI pages and in all confirmation messages, so from the user perspective, the sys...
Wed, 23 Jan, 2019 at 3:40 PM
Can I autoregister a preparation (lot) under a given Id?
Yes, use the Register with CN option, which is available on the Registration, Submission pages and Browse pages. Note that on the Browse page the option is a...
Wed, 23 Jan, 2019 at 3:41 PM