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ACD/Labs Releases Version 11 Desktop Software Complete with Powerful New Features and Products

Advanced Chemistry Development, Inc., (ACD/Labs)
26 Nov 2007
Greg Smith
Analyst / Analytical Chemist

Product news

A new version of acclaimed software for chemistry, filled with enhancements, new features and functions, and a brand new product for NMR interpretation, is now available from Advanced Chemistry Development, Inc. (ACD/Labs).

ACD/Labs works continuously to improve our software offerings, in keeping with our promise to deliver innovative software tools to chemical and pharmaceutical researchers throughout industry and academia. With this release, we remain true to our multi-technique, multi-vendor analytical knowledge management approach by adding more flexibility in organizing chemical structure data relative to analytical results, and improving searching, visualization, and transferability of data.

ACD/Labs version 11.0 includes updates to most of our wide range of desktop NMR, mass spectrometry (MS), and optical spectroscopy products, as well as those for chemical nomenclature generation, chemical drawing, physicochemical property prediction, and chromatography. A full list of what's new can be obtained from our website, however below is a distillation of some of the highlights. Version 11 upgrade for the ACD/Labs' Server-based and Enterprise-level applications will be released in early 2008.

ACD/IntelliXtract software for LC/MS componentization features the new ability to extract chromatographic components according to specific, user-defined isotope patterns such as radiolabels. Other MS tools now have the capability to predict negative ion fragmentation, and feature new file formats for LC/MS data importation in support of ACD/Labs vendor-friendly policy that allows users to open and process experimental data from a variety of vendor file formats and instrument types. Processing of chromatographic data and peak matching for LC/UV (PDA, DAD) became simpler with updates to the ACD/Labs' products for LC.

ACD/Labs' NMR predictors are well known throughout the industry for their accuracy and versatility; however, the new release further augments the prediction algorithms, resulting in better prediction quality. Significant changes have been made to our NMR Processing products (ACD/1D NMR Manager and 1D NMR Processor) to help improve the structure verification workflow that will help users confirm the identity of their structures faster and more reliably.

A new product ACD/1D NMR Assistant, designed especially for chemists, features a streamlined user interface, fast and accurate multiplet analysis, and a structure verification algorithm to bring NMR expertise to the chemist's desktop.

Enhancements to our industry-standard molecular property predictors include substantial enhancements to the prediction of logP, and of the pKa values, contributing to enhancements to the related predictive software modules that calculate pH-dependent solubility and logD.

In our bid to adopt the latest industry standards, we have included support for InChIKey notation to our chemical drawing and nomenclature packages. Alterations to the ACD/ChemSketch chemical drawing interface improve workflow and make it more intuitive by adding standard Microsoft Windows shortcuts and other accepted keyboard and menu conventions.

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Advanced Chemistry Development, Inc., (ACD/Labs)Company website

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LC-MSLC-MS (liquid chromatography-mass spectrometry) systems and equipment are used for separation and quantitative analysis of complex mixtures, combining liquid chromatography and mass spectrometry. Quantify proteins, contaminants, pesticides or screen for drug metabolites with a high level of sensitivity. LC-MS systems and equipment include reverse phase, normal phase and specialized columns integrated with various MS detectors such as time-of-flight (TOF), quadrupole, orbitrap or ion trap mass analyzers. LC-MS/MS instruments equipped with a qTOF or triple quadrupole analyzer give greater sensitivity and resolving power to your analysis. Find the best LC-MS equipment in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Mass SpectrometryMass spectrometry (MS) is a powerful analytical technique used to identify and quantify molecules based on the mass-to-charge ratio of gas-phase ions. It provides detailed information about the structure, composition, and properties of compounds and is widely used across fields such as environmental monitoring, materials science, drug discovery and development, food and beverage testing, and wider chemical research. Key MS techniques include tandem mass spectrometry (MS/MS), liquid chromatography–mass spectrometry (LS-MS) and inductively coupled plasma (ICP-MS). Choosing from these wide range of techniques and technologies can be a daunting task, so keep up to date with scientific applications, performance expectations, and customer reviews here all in one place. Visit our product directory to receive quotes direct from the manufacturer. NMR and EPR SpectroscopyNuclear magnetic resonance (NMR) spectroscopy is used to resolve the local chemical environment of atomic nuclei with spin, revealing information on molecular structure, dynamic processes and chemical reactions of organic molecules, from proteins to synthetics. Electron paramagnetic resonance (EPR) also known as electron spin resonance (ESR) spectroscopy is used to detect and quantify paramagnetic species in a sample, including free radicals as transition metal ions. By immersing the sample in a strong magnetic field, both NMR and EPR spectrometers probe the sample with either radio waves or microwaves respectively. A range of benchtop, solid-state and time domain NMR spectrometers & EPR spectrometers are available, as well as NMR tubes, NMR solvents, software, coils, and magnets. Find the best NMR & EPR equipment in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.UV-Visible SpectroscopyUltraviolet-visible (UV-Vis) spectrophotometers are used to measure the interaction of UV and visible light with a sample, including transmission, reflectance & absorbance. The two major instrument classes are single-beam or double-beam spectrophotometers. More specialized equipment includes colorimeters, spectroradiometers and refractometers. Portable and microvolume spectrophotometers are also available. For the modular spectroscopy lab, explore a range of light sources for combination with a spectrograph/spectrometer and optics. Find the best UV-Vis spectroscopy products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Data AnalysisData analysis hardware and software is available to make data processing straight-forward yet powerful. Data software can be used for math and stats, technical graphing and image analysis. In addition, software is available for specific data analysis of electrophoresis, densitometry, ELISA and DNA sequencing.Chem / BioinformaticsCheminformatics and bioinformatics are computational techniques used in chemistry and biology, respectively, for data acquisition, processing and storage. Cheminformatics focuses on compound information, whereas bioinformatics is mainly applied to analysis and modeling of genomics, genetic and sequencing information. Hardware and software is available for data acquisition, analysis, management and storage.

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