Single Chemistry Registration

Last Updated: Sep 25, 2016 02:44PM PDT

Summary: How to use the Single Registration page to register a single compound and its associated data without an SD or text file. Structures are optional in Single Registration.

Covered Topics

The following topics are covered in this article. Clicking a link will scroll the page to the relevant section.

Start Single Registration

Register a Compound (with Structure)

Add Sample and Shipping Information

Add Biological Data

Note: The following information provides a high-level summary. For additional details, see the attached PDF ("ScienceCloud Project Data Chemical Registration Guide").

Start Single Registration

To start Single Registration:

  1. From the Appssection on the Home page, click Project Data to open the Project Data page.
  2. From the top menu bar, select New Data Entry to open a getting started option.
  3. In Register a Single Compound online, click Get Started to open Single Registration.

Register a Compound (with Structure)

To register a compound with structure:

  1. Click the structure box to open either Pipette Sketcher or a third-party sketcher tool that is compatible with ScienceCloud, such as BIOVIA Draw.
  2. Enter a structure by doing one of the following:
  • Drag and drop a previously created .mol file into the sketcher tool.
  • Draw a structure in the sketcher tool.
  1. Click Transfer to return the structure to the Single Registration page.
  2. (Required) In Batch IDs, enter the batch IDs in the text box that opens. To enter multiple IDs, click [+].

Notes:

  • Batch IDs must be unique to ScienceCloud (50 characters max). For example: PCUCT01-0002.
  • Some teams auto-generate batch numbers. This field is not required for those teams. Consult your team administrator to confirm batch ID generation.
  1. (Required) The projects and batch groups that can be used to register the compound are listed below the structure box. Select from the list one batch group from a project in which to register the new compound.
  2. (Optional) Add additional information in the appropriate fields.
  3. Click Save to save the single registration settings.

Tips:

  • To assign a compound ID, enter the ID numbers in Compound ID.
  • If a compound was previously registered and the current information needs to be registered as a new compound, clear the check box for Check for existing structure and save batch as a subsequent batch.
  • If the current information should be registered as an additional batch for an existing compound, select the check box for Check for existing structure and save batch as a subsequent batch

Add Sample and Shipping Information

Use the Samples tab to add sample and shipping information.

To add sample information:

  1. Click the Samples tab located below the Single Registration fields.
  2. Click Add Sample. A new sample line is added in the Samples section at the bottom of the samples list.
  3. (Optional) Enter information in Container ID.
  4. (Optional) Enter information in the other fields where necessary.
  5. Multiple new samples can be added. Click Add Sample and repeat the above steps.
  6. Click Save to save the single registration entry.

Add Analytical Type Information

To add analytical type information:

  1. In the Analytical Type field, click [+].
  2. Select an Analytical Type from the drop-down list.
  3. Click Choose File or Browse and browse for an analytical file to attach to the sample.
  4. Click OK to exit the dialog.
  5. Click Save to save the single registration entry.

Add Shipping Information

To add shipping information:

  1. Click Add Shipping beneath the appropriate sample.
  2. (Optional) Enter required information in Container ID.
  3. (Optional) Enter information into other fields if necessary.
  4. Multiple lines of shipping information for a sample can be added. Click Add Shipping and repeat the above steps.
  5. Click Save to save the single registration settings.

Add Biological Data

Use the Biological tab to add biological data for the compound/batch that is getting registered.

To add biological data:

  1. Click the Biological tab located below the Single Registration fields.
  2. Click Add assay result. A new record is added in the Biological tab.
  3. Enter biological data for the record in the fields.
  4. Multiple new records can be added. Click Add assay result and repeat the above steps.
  5. Click Save to save the single registration settings.
Related

Analytical Type File Registration

Single Biology Registration

Getting Started with Chemical Registration

Getting Started with Biological Data Template Registration


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