Databasing with ACD/Labs

ACD/Labs provides you with the opportunity to create two types of spectral databases:

1. Chemical shifts and coupling constants databases

In addition to spectral predictions, ACD/HNMR, CNMR, NNMR, FNMR, and PNMR allow users the opportunity to build their own databases with chemical structures, experimental chemical shifts, and coupling constants. While these databases do not provide access to experimental spectra, they can serve as a useful NMR data repository that offers an array of searching capabilities (i.e. chemical shift, coupling constant, structure, substructure searches, etc.). Furthermore, to acknowledge the fact that there will always be proprietary structures not well-characterized in the literature experimental chemical shifts from these databases can be used to improve overall prediction accuracy.

ACD/Labs also provides access to the ¹H, ¹³C, ¹⁵N, ¹⁹F, and ³¹P databases used by our industry standard predictions that are available as a separate module to the NMR Predictors.

2. Experimental spectra databases

Reference spectra databases with structures can be built, accessed, and searched using ACD/SpecManager, which is designed for working with experimental spectra recorded for a variety of techniques. A number of pre-built commercial spectral databases of spectra are available in ACD/SpecManager format.

Enterprise-Wide Database Access

ACD/Labs can help you with information access and databasing needs for your entire corporation. We offer Global Spectral Data Management through the ISIS/Host integration and client/server spectral databasing (Oracle).

Data Forms Manager - a Tool for Database Standardization

In today's busy world, tedious data input task should be made as easy and as automated as possible. Even with all ACD/Labs's tools designed to automate data entry, some manual data entry is often unavoidable and necessary. The inspiration for Data Forms Manager came from our client base. Time and again we heard, "I like your database feature, but how can I facilitate and standardize manual data entry of User Data input?"

The Data Forms Manager helps you make an extra dialog box so that as soon as anyone tries to create a new record for the database, he or she is prompted to select values for data fields that are important for your record-keeping.

The available choices can appear as pop-up menus, check-boxes, or list-selections for items where there are a limited number of choices, thereby eliminating tedium and typing errors. Or the input form can have editable text boxes for more "free-form" data. The choice is up to you. It is extraordinarily simple to design the Data Forms Manager exactly to your specifications.

The Data Forms Manager: now appearing in the Database Window for ChemFolder, CNMR, HNMR, as well as the SpecManager and ChromManager database modules.