Signals One: How to Integrate Lead Discovery Premium ChemCharts with a Custom HELM Library

Users may want to render HELM structures in Lead Discovery Premium (LDP) ChemCharts using a Custom HELM Library managed in Signals. By default, ChemCharts may not recognize custom monomers unless the Spotfire client is properly configured to connect to the Signals HELM Monomer Service. This article explains how administrators and client users can configure Spotfire to use a Custom HELM Library.

Prerequisite:

LDP 3.7 or higher is required in order to connect Spotfire to Custom HELM Library.

Also, to use a Custom HELM Library, a valid license for one of the following products is required:

• Signals One
• Signals ChemDraw

Steps for administrator users

Follow the steps below to integrate Lead Discovery Premium ChemCharts with a Custom HELM Library.

1. Start Spotfire Analyst and log in as an administrator.
2. Configure the following preference for the user groups that will connect to the Custom HELM Library: Lead Discovery ChemCharts > Monomer Service Address
   •  (Example value: https://mytenant.signalsresearch.revvitycloud.jp/)
3. Log in to the Signals tenant.
4. Navigate to HELM Monomer Curation.

5. Register custom HELM monomers.

    

Steps for client users

  1. Locate the following directory in the Spotfire client installation and copy the full path:

<Spotfire client installation directory>\<version>\Modules\Lead Discovery ChemCharts_<ldp version>\

Example:

C:\Users\userid\AppData\Local\Spotfire\14.0.3\Modules\Lead Discovery ChemCharts_4.12.0.37\

  2. Open Command Prompt as Administrator and run the following commands:

cd "<Spotfire client directory>\<version>\Modules\Lead Discovery ChemCharts_<ldp version>\"
RegisterSignalsSignInApp.exe

Example:

cd "C:\Users\userid\AppData\Local\Spotfire\14.0.3\Modules\Lead Discovery ChemCharts_4.12.0.37\"
RegisterSignalsSignInApp.exe

*The RegisterSignalsSignInApp.exe utility registers a helper application used by Spotfire to complete the authentication flow between the local ChemCharts module and the Signals web service. User only needs to run it once.

  3. Import HELM data (including custom HELM notation) into Spotfire.

  4. Add a ChemCharts visualization using the table containing the HELM data.

  5. Right-click the HELM column, select Configure as…, and then select HELM.

  6. A web browser will open automatically and prompt you to log in to the Signals tenant.

  7. After a successful login, a popup dialog will appear. Click on : Open with SignalsSigninApp

  8. The HELM structures will then be rendered using the Custom HELM Library.