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Related Resources for ACD/Spectrus Platform

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ACD/Labs Releases New Software Features to Support Chemical and Pharmaceutical R&D
Sep 23, 2020
ACD/Labs
Press Release
ACD/Labs announces its annual updates across its Spectrus and Percepta platform applications with the release of Version 2020.
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Future-Proof Your IT Infrastructure for Complete Scientific Data Management
Jun 10, 2020
ACD/Labs
Webinar
This webinar will discuss the challenge of managing analytical data in IT systems, implications of managing data in the cloud, and industry trends in data standardization.
Watch on Demand


Enablement Strategy for Automation in Analytical Data Management
Jun 04, 2020
ACD/Labs
Strategy Brief
This Strategy Brief is intended to help organizational stakeholders to review analytical data accessibility needs, provide an overview of ACD/Labs software and services, and propose practical steps for realizing an automated ADMS.
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How to Achieve Effective Analytical Data Management in 2020
Jan 29, 2020
M. Riese
Webinar
In this 40 minute webinar we will discuss ACD/Spectrus, ACD/Labs' comprehensive, multi-technique, instrument vendor-agnostic analytical data management system (ADMS). Start the new year off right by learning how to revolutionize your data management strategy with ACD/Labs!
Watch on Webinar


ACD/Labs Releases v2019 Software Updates to its Spectrus and Percepta Platform Applications
Sep 18, 2019
ACD/Labs
Press Release
Software enhancements offer a complete application for CMC decision support, improvements for analytical data processing and analysis, and a move to 64-bit architecture.
ACD/Labs Releases v2019 Software Updates to its Spectrus and Percepta Platform Applications


ACD/Labs: Empowering Data-driven Decisions
Jun 26, 2019
ACD/Labs
Article
This guide to informatics and data integrity published by the European Pharmaceutical Review highlights ACD/Labs software solutions including our Spectrus and Percepta platforms, and new solutions Luminata and Katalysts D2D.
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ACD/Labs® Releases Updates to its Foundational Spectrus® and Percepta® Platforms
Oct 24, 2018
ACD/Labs
Press Release
The release of ACD/Labs' v2018.1 software includes major enhancements to its analytical knowledge management solutions for pharmaceutical development, MS and NMR dereplication workflows, and chromatography offerings.
ACD/Labs® Releases Updates to its Foundational Spectrus® and Percepta® Platforms


Targeted Dereplication of Microbial Natural Products by High-Resolution MS and Predicted LC Retention Time
Jul 21, 2018
M. McKee, ACD/Labs
Poster
A new strategy for identification of known compounds in Streptomyces was developed via combined screening of two natural product databases. StrepDB contains LCMS data for 5555 natural products, and was screened using a high-throughput processing algorithm that rapidly identifies known compounds using HRMS data and predicted LC retention times. MbcDB contains structures and analytical data for 665 natural products and was generated using Spectrus DB. StrepDB was used to screen a mutant Streptomyces albus extract, which led to the identification of two new compounds, legonmaleimides A and B. Their proposed structures were then confirmed by computer-assisted structure elucidation methods using ACD/Structure Elucidator Suite. This strategy suggests an extract dereplication pipeline approach that can be applied to natural product discovery.
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The State of Scientific Analytical Data Management
Jun 15, 2018
ACD/Labs
eBook
In an era where analytical instruments are becoming more and more sophisticated, and the amount and types of data collected are increasing exponentially, we partnered with Cell Associates and C&EN to conduct a formal industry survey on Analytical Data Management. Read this eBook to discover our key findings on how laboratories manage all the analytical data they produce.
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Discovering the Fourth Paradigm in Data Standardization
Apr 01, 2018
G.A. McGibbon and A. Anderson
Article
Graham McGibbon and Andrew Anderson of ACD/Labs write about how the externalization of R&D activities and the deluge of instrumental analytical data generated on a daily basis has resulted in increasing interest in analytical data standardization.
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Addressing the Unique Challenges of Analytical Data Management in the Modern R&D Environment
Nov 03, 2017
ACD/Labs
Poster
Commonly used informatics technologies do not effectively manage the unique challenges of analytical data management. While data abstraction serves a purpose, it also has limitations since important details, knowledge, and contextual information can be lost.
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ACD/Labs Announces Updates to its Spectrus Informatics Platform
Oct 18, 2017
ACD/Labs
Press Release
V2017.1 release of ACD/Spectrus software introduces an innovative solution for impurity data management and exciting developments for deconvolution and analysis of mixtures.
ACD/Labs Announces Updates to its Spectrus Informatics Platform - October 2017


Analysis of Mixtures by NMR Spectroscopy: Current Workflow Solutions using the ACD/Spectrus Platform
Sep 18, 2017
D. Argyropoulos, B. Pautler, S. Golotvin, S. Jahanbakht, V. Mikhalenko
Poster
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IntelliXtract 2.0: Simplified Intelligent Component Extraction and Detection
Jun 08, 2017
A.M. Smith, R. Lee, V. Lashin, A. Paramonov
Poster
The analysis of real-world samples is becoming increasingly complex and time-consuming. Scientists frequently use techniques, such as chromatography to aid in the separation of differing compounds and components. Liquid Chromatography-Mass Spectrometry (LC-MS) has been the primary platform for determination of differing components when chromatographic co-elution was inevitable.

Software can aid in simplifying the data-mining process and increase the speed of discovery. An earlier algorithm for component detection, named IntelliXtract (IX), implemented a method of extracted ion chromatograms (XICs) that were automatically generated and assigned a component number, thereby simplifying the analysis process, but was computationally demanding. Here we describe a simplified and more optimized algorithm based on the use of ion threads vs. XICs.
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A new biotransformation prediction engine integrated into a metabolite identification solution
Jun 07, 2017
Richard Lee, Rytis Kubilius, Vitaly Lashin, Alexandr Sakharov
Poster
In the analysis of xenobiotic metabolism, there have been a number of advancements in the hardware used, as well as the software that processes LC-MS data for metabolite identification. However, bottlenecks remain in the workflow, and especially in the structure elucidation phase. Here we present a new prediction algorithm that determines the likelihood of biotransformation reactions, and subsequent metabolite identification, within an automated processing routine.
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A new method for analyzing MSE/All Ions Fragmentation in Xenobiotic metabolism studies
Jun 07, 2017
Richard Lee, Vitaly Lashin, Andrey Paramonov, Alexandr Sakharov
Poster
As an alternative to traditional Data Dependent Acquisition (DDA), the use of MSE/All Ions Fragmentation (AIF) has become common in metabolite identification workflows for the analysis of metabolic hot spots. Although, MSE/AlF has its advantages, the non-specific fragmentation of precursor ions possess a challenge for structure elucidation due to the confounding fragment ions from other species. Here we present a solution for analysis of MSE/AlF in metID studies.
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Addressing the Unique Challenges of Analytical Data Management in the Modern R&D Environment
May 24, 2017
G.A. McGibbon, S.K. Bhal
Poster
Effective analytical data management brings unique challenges that are not easily addressed by the majority of scientific informatics technologies commonly in use in R&D (ELN, LIMS, CDS, Raw data archives, etc.). The large variety of analytical data generated through a product's R&D lifecycle is driving a growing acceptance of the need for the homogenization of spectroscopic and chromatographic data. Furthermore, while data abstraction—a result of digitization of analytical data to text, numbers, and images—serves a purpose, it also brings limitations since important details, knowledge, and contextual information can be lost.
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Looking Beyond Analytical Data Standardization - the Fourth Paradigm
May 15, 2017
A. Anderson, G. McGibbon, A. Paramonov, S. Bhal
Whitepaper
In this white paper we provide commentary on factors that impact analytical data standardization and a vision of the considerations and requirements that such an undertaking should include.
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Let your Data live On: the ACD/Labs Approach to Laboratory Informatics
Feb 20, 2017
Maria Varlan
Presentation
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Impurity Lifecycle Management: Visualizing a Vast Array of NMR and Other Analytical Data
Feb 20, 2017
S. Coombes, J. Nightengale, A. Micottis, A. van Wyk, P. Russell, D. Argryopoulos, S. Albrecht
Poster
Drug Development is a process that takes years and results in huge amounts of information being generated. Thousands of individual experiments and tests, and hundreds of reports produce terabytes of data. A concise summary of the process is the Marketing Application report but this typically runs into hundreds of pages to describe the impurity control strategy.
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Boehringer Ingelheim Selects ACD/Labs for International Deployment
Nov 30, 2016
ACD/Labs
Press Release
Implementing software on the ACD/Spectrus Platform simplifies the IT landscape and provides essential analytical data handling tools for leading pharmaceutical company.
Boehringer Ingelheim Selects ACD/Labs for International Deployment


Replacing Pen and Paper in the Laboratory
Nov 10, 2016
J. Bienert (Max-Planck-Institute)
AppNote
The Max-Planck Institute for Biophysical Chemistry have replaced their paper lab journals with the ACD/Spectrus Platform to access all of their data via an interface that they created and optimized in house.
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Facing a formidable challenge
Oct 31, 2016
S. Ktori (Scientific Computing World)
Article
Third-Party Reference
Andrew Anderson and Graham A. McGibbon discuss ACD/Labs' partnership with the Allotrope Foundation.
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Schwabe Pharmaceuticals Selects ACD/Labs for Analytical Data Handling and Knowledge Management
Oct 19, 2016
ACD/Labs
Press Release
Deployment of ACD/Spectrus software provides an efficient, common software environment for data processing and analysis, helping scientists leverage analytical knowledge.
Schwabe Pharmaceuticals Selects ACD/Labs for Analytical Data Handling and Knowledge Management


ACD/Labs Announces Updates to its Informatics Software
Oct 12, 2016
ACD/Labs
Press Release
V2016.1 of ACD/Spectrus and Percepta delivers improved knowledge sharing and data-driven decision support for R&D organizations.
ACD/Labs Announces Release of Updated Software


'I think I have had this feeling of deja-vu before'...Using a DMPK database
Sep 27, 2016
S. Thomas (GSK)
Presentation
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Pilot Study to Automate Forced Degradation Workflows
Sep 27, 2016
D. Benstead (AstraZeneca)
Presentation
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Impurity Lifecycle Management—Visualising a Vast Array of Analytical Data
Sep 27, 2016
S. Coombes (AstraZeneca)
Presentation
Download


Working with CROs in Metabolite Identification
Sep 27, 2016
L. Mason (Syngenta) and R. Mumford (Smithers Viscient)
Presentation
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