ACD/Labs Calculator Add-ins for Accelrys Draw

Get accurate predictions of molecular properties, chemical names and spectroscopic parameters from ACD/Labs predictive tools without leaving the Accelrys Draw (formerly Symyx Draw and MDL Draw) environment. Simple add-ins allow you to seamlessly integrate Accelrys Draw with the ACD/Labs PhysChem, Name, and NMR modules you already use.

ACD/Name—generates accurate systematic names for almost any organic structure in accordance with IUPAC and CAS rules, and converts names to structures.

ACD/Labs NMR Predictors—calculates 1H, 12C, and 2D NMR spectra, chemical shifts, and coupling constants for the compounds, based on their chemical structure.

ACD/Labs PhysChem Predictors*—a collection of expert modules built for comprehensive evaluation of structure-property relationships.

Use ACD/Labs' Predictive Power in Two Modes:

Calculator Mode

Run ACD/Labs programs in the background while using Accelrys Draw to see predicted physiochemical properties, generate chemical names, or predict NMR chemical shifts and coupling constants, without leaving the Accelrys Draw interface.

Application Mode

Step out of Accelrys Draw to use ACD/Labs predictors and nomenclature tools in their own environment. Chemical structures drawn in Accelrys Draw are automatically transferred to the selected ACD/Labs program, allowing you to review details of how the calculation was made, or to further search ACD/Labs databases.

The ACD/Labs Calculator Add-ins for Accelrys Draw are currently only compatible with versions 2.1, 3.0, 3.1, 3.5 and 4.1 of Accelrys Draw.

Integration is possible only with valid licenses of ACD/Name, ACD/Labs NMR Predictors, or ACD/Labs PhysChem Predictors.

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*ACD/Labs' version 2012 PhysChem prediction tools (migrated to the Percepta platform) are not yet compatible with Accelrys Draw. Please do not hesitate to contact us if you are interested in this integration.