Related Resources for ACD/ChemSketch

Create a cyclic Tyrosine-Alanine-Alanine peptide using the Template window, and

Clean your final structure

Create a cyclic oligomer with and without the Instant Template tool

Create a high quality, 1 meter by 1 meter poster for presentation purposes

Create a reaction energy diagram in less than 3 minutes in the ChemSketch Draw mode

Draw a chemical structure and attach it to a spectrum

Draw a double-stranded DNA fragment in Draw mode, and

Apply different shades, colors, and patterns to the DNA strands

Draw a single-stranded DNA molecule fragment

Use the Templates Window to create complex biomolecules

Change the color of the different fragments in the drawn structure

Draw beta-maltose using the Template Window, and

Calculate various chemical properties of the molecule

Draw dodecahedrane and fullerene-C₆₀

Use the Table of Radicals and Templates window to create fullerene structures

Draw triptycene using the Table of Radicals, and

3D optimize your structures

Insert structures, spectra, and text into a table constructed in Draw mode

Add rows to the table and change the height/width of cells

Change the size and layout of the table's contents

Navigate through the Template window

Paste an object to the ChemSketch window, and

Add and remove a user-defined template

Search ACD/Dictionary, and

Create publication quality reactions in ACD/ChemSketch, using the lactose synthesis reaction as an example

Search file systems for structures embedded within multiple file formats

Store the results and conditions of searching using the Save feature

View files containing the found structure in the associated applications

Use the Table of Radicals and Templates Window to draw bicyclic compounds

3D Optimize your structures

Systematically name your compounds according to IUPAC nomenclature recommendations

Use the Table of Radicals to draw fluorescamine and other spiro compounds with polycyclic components

Use the Template Window to create a vacuum distillation apparatus

Copy your 2D structure from ChemSketch to 3D Viewer and vice versa

3D optimize your structure and view different representational styles

Invert the configuration of chiral centers

Measure and change internuclear distances, bond angles, and torsion angles

Search names and structures in ACD/Dictionary

Save and load previously searched items

View a list of all the enzymes inhibited by a structure, and

Search for structures with defined stereoconfigurations

Perform a simple structure search in ACD/Dictionary

Check for major, minor, and condition-dependent tautomeric forms

At the 46^th ENC (Providence, RI, April 2005) I had the opportunity of learning about the capabilities of ACD/Labs Online. Once back in Carnegie Mellon, I requested the library to subscribe to the service and the funds were approved in September 2005. Since then, our students (undergraduate and graduate), visiting scholars and faculty used ACD/Labs not only as a research tool but also as a teaching tool. Chemistry research activities at Carnegie Mellon are very diverse and multidisciplinary. Scientists took advantage of the ACD/Labs capabilities to tackle diverse problems in the fields a ¹⁹F-MRI, Nanosciences, Green Chemistry, Natural Products, Atmospheric Chemistry, Bioorganic Chemistry, and Material Sciences, among other. For example, ¹H and ¹³C NMR chemical shift predictions helped to identify the different type of functional groups in the degradation of product of limonene under the presence of ozone. We were able to map these functional groups using ¹H,¹³C–HSQC spectra of the degradation mixtures in combination with NMR predictions. Scientists at CMU also use NMR predictions in a regular basis in the identification of natural products, characterizations of polymers, and ¹⁹F MRI. A series of examples of applications of ACD/Labs Online in these fields of research will be shown.

On the other side, Organic Chemistry I students are encouraged by their teachers to use ChemSketch and ACD/Labs Online as an optional learning tool.

Among several databases that our library system subscribes, ACD/Labs (NMR predictors and databases, naming, physicochemical properties predictions and databases) became a very valuable teaching and research tool.

Advanced Chemistry Development, Inc., (ACD/Labs) is pleased to announce the latest version of the industry leading ACD/ChemSketch Freeware, a comprehensive chemical drawing package.

ACD/Labs has been fueling the advancement of scientific research since 1998 by providing scientists access to our software tools. One of our primary goals has been to ensure that the academic community has access to a chemical structure drawing package enabling accurate representation of chemical structures and inclusion into lab reports. In order to facilitate standardization within an academic environment, we have offered site licenses of our drawing software together with our assistance to support the deployment process. With over 250 donations of site licenses to date, ACD/Labs' software continues to provide a significant impact on a major segment of the academic scientific community.

ACD/Labs NMR Application Note