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What Research Needs, ACD/Labs Delivers with Their New Version Release

Advanced Chemistry Development, Inc., (ACD/Labs)
21 Nov 2006

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New Version 10 of Advanced Chemistry Development, Inc.’s, (ACD/Labs’) software provides chemical research scientists and educators worldwide with enhanced tools to simplify an array of tasks within research, discovery, and development groups, making the research process more efficient.

Each year the development and investigation of new chemical entities results in the generation of vast quantities of data, information, and extracted knowledge. ACD/Labs’ continued focus in the development of version 10 has been to extend the capabilities of our software suite to offer superior chemical structure handling, property prediction, and analytical data processing, databasing, and knowledge capture and dissemination. With our ongoing passion for innovation we will release to market many firsts for the scientific software industry, further enhancing the ability of scientists to make better decisions faster, and addressing key business drivers.

For more than 12 years, ACD/Labs has provided software to pharmaceutical and chemical R&D scientists to assist in their endeavors. The automation of challenging and monotonous tasks such as spectral processing and routine interpretation frees up time for other valuable functions. The generation of databases that leverage existing analytical data by collecting and combining information from various techniques and vendor formats put the efforts of past research to work for the benefit of current and future projects. Predictive tools that help gain insight into the starting point of a new chromatographic method, or the ability to utilize property prediction to optimize a drug candidate, can eliminate hours or days of work. Presently, ACD/Labs’ commitment to the evolving needs of our users is embodied in the release of our version 10 software with upgrades, new functionality, and expanded capabilities based on industry advancement and additional integration to our collaborators and partners, and driven by user feedback.

“This past year our continued focus in the development of version 10 has been to extend the capabilities of our software suite,” says Antony Williams, VP and Chief Science Officer for ACD/Labs. “With our ongoing passion for innovation, we will release to market many firsts for the scientific software industry, addressing key business drivers and further enhancing the ability of scientists to make better decisions faster.”

Among the Version 10 additions and enhancements are:

  • Augmented functionality of expert spectroscopy interpretation software for NMR, MS, UV-vis, IR, and Raman
  • Additional vendor formats to make the integration of spectroscopic techniques more comprehensive
  • Innovative products to assist in the efficient development of chromatographic methods using both LC/MS and LC/UV (DAD, PDA)
  • Expanded databases of experimental results improving the accuracy of predictive tools for aqueous Solubility and NMR
  • Enhanced nomenclature capabilities to include chemical structures with isotopic substituents

“The delivery of version 10 will be the culmination of tens of thousands of hours of effort,” adds Williams. “As always we will celebrate our release only as a result of the positive feedback from our users. We never rest on our laurels and are already hard at work on our next developments. At the spring shows in 2007, we will unveil new products to the ACD/Labs suite of offerings that will facilitate even deeper integration into Enterprise systems and demonstrate our continued commitment to invention.”

ACD/Labs is continuously working to develop and refine advanced software tools to meet the ever-changing needs of modern research. Because of this dedication, ACD/Labs’ tools are widely used throughout the pharmaceutical and chemical industry as well as at academic research facilities around the world. For more information about the company and its products, a list of companies and institutions currently using ACD/Labs technology, and a complete list of ‘What’s New in Version 10’, visit our newly enhanced website.

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

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Infrared / IR SpectroscopyInfrared (IR) spectroscopy measures the interaction of infrared light with a sample, including transmission, reflectance & absorbance, facilitating the identification of analytes. Equipment used for quantitative analysis includes Fourier-transform infrared (FTIR) spectrometers, infrared cameras, FTIR gas analyzers, as well as attenuated total reflectance (ATR) accessories and pellet or film presses. Find the best IR spectroscopy products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.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.Raman SpectroscopyRaman spectroscopy is used to discern the vibrational and rotational states of molecules and hence the chemical composition of a sample by measuring the inelastic scattering of monochromatic light. Explore a range of Raman spectrometers, including handheld/portable Raman spectrometers for QC/QA labs and in situ spectrometers for processes. Conduct Raman imaging for microanalysis of mixed samples using a Raman microscope. Raman spectrographs are also available. Find the best Raman 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.Molecular Recognition SoftwareMolecular recognition software is widely used to analyze DNA, RNA, proteins and chemicals. The software can be useful for graphical viewing, comparative analyses, high-throughput screening, genomics, proteomics and phylogenetics. Molecular recognition software uses bioinformatics tools and analyses such as BLAST searches and generates structural predictions, 3D structures and sequencing information.

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