Integration of ACD/Labs Technology Into Your Cheminformatics Environment

Exploit a Variety of Tools Including API, Web Services, and SQL Queries

Data Management and Informatics

ACD/Labs offers flexible options to help you achieve the best integration solutions for maximum return on investment (ROI) from your existing IT systems.

Include Analytical Data Handling to Existing Systems

Add Chemical Context to Analytical Information

Integrate ACD/Spectrus Platform technology with existing ELNs, LIMS, compound registries, and other systems to supplement existing tools with analytical data processing, analysis, and interpretation at the desktop; and the ability to store, search, and access live analytical and chemical information. Also, pull information from third-party systems to add chemical context to your analytical data.

Integrate ACD/Percepta Platform technology to include molecular predictions to existing systems, or utilize the platform to share consistent predictive information throughout your organization, and deliver a collaborative platform for drug discovery and lead optimization.

Web Services—ACD/Labs web services use REST architecture (JSON) for controlled access to your organizations data.

API—the ACD/Spectrus API via OLE provides access to:

  • Vendor independent processing and analysis of all major analytical chemistry techniques
  • Database search and retrieve
  • ACD/Labs scripting environment

SQL Queries will allow database access for direct read/write of data.

  • Allows specific searching
  • Store metadata and structures retrievable using a key field: "unique ID"
  • Read/write databases (structures, metadata, live analytical spectra and chromatograms)
  • Run stored SQL programs inside the database

Java Script widgets

Security—ACD/Labs uses existing authentication methods such as tokens, username/password, or ticket-based single sign-on (e.g., Kerberos).