Automated Chromatographic Data Interpretation Using an Expert System

Elling, John W.; Mniszewski, Susan M.; Zahrt, John D.; Klatt, Leon N.

doi:10.1093/chromsci/32.6.213

Cited by 9 publications

(4 citation statements)

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“…All these data features can be interpreted without the review of any chromatograms. This approach to automated data review is not new; the need to reduce the variability in human perception of chromatographic data has been recognized for decades [ 114 ].…”

Section: Lc-ms/ms Quality Assurancementioning

confidence: 99%

Review of the Use of Liquid Chromatography-Tandem Mass Spectrometry in Clinical Laboratories: Part II–Operations

Rappold

2022

Ann Lab Med

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Liquid chromatography-tandem mass spectrometry (LC-MS/MS) is increasingly utilized in clinical laboratories because it has advantages in terms of specificity and sensitivity over other analytical technologies. These advantages come with additional responsibilities and challenges given that many assays and platforms are not provided to laboratories as a single kit or device. The skills, staff, and assays used in LC-MS/MS are internally developed by the laboratory, with relatively few exceptions. Hence, a laboratory that deploys LC-MS/MS assays must be conscientious of the practices and procedures adopted to overcome the challenges associated with the technology. This review discusses the post-development landscape of LC-MS/MS assays, including validation, quality assurance, operations, and troubleshooting. The content knowledge of LC-MS/MS users is quite broad and deep and spans multiple scientific fields, including biology, clinical chemistry, chromatography, engineering, and MS. However, there are no formal academic programs or specific literature to train laboratory staff on the fundamentals of LC-MS/MS beyond the reports on method development. Therefore, depending on their experience level, some readers may be familiar with aspects of the laboratory practices described herein, while others may be not. This review endeavors to assemble aspects of LC-MS/MS operations in the clinical laboratory to provide a framework for the thoughtful development and execution of LC-MS/MS applications.

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Section: Lc-ms/ms Quality Assurancementioning

confidence: 99%

Review of the Use of Liquid Chromatography-Tandem Mass Spectrometry in Clinical Laboratories: Part II–Operations

Rappold

2022

Ann Lab Med

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“…Presently, DENDRAL is one of the most widely used expert systems that has helped in thousands of chemical structure analyses. 1 In fact, structure elucidation and data interpretation have been very active research areas in which application of expert system technology covers various spectral and chromatographic methods or a combina- [7][8][9][10][11][12][13]27 IR, [14][15][16][17][18]28 NMR, [19][20][21][22][23] UV, 24 Raman, 25 X-ray, 26 GC-MS, 29,30 MS-MS, 32 chromatography [33][34][35] DENDRAL, 9,10,27 MYCIN, 13 Meta-DENDRAL, 11,12 HIPS, 21 MAXMASS, 7,8 EXPIRS, 28 PEPTO, 23 AUTARG, 29 ESSESA, 20 PAIRS, 15,18 ESESOC, 31 RASTR, 24 Cathie 35 computer assisted syntheses synthesis, retrosynthesis, starting material selection [36][37][38][39] LHASA, [40][41][42] SYNLIB, 43 SYN-GEN,…”

Section: Expert System Applications In the Chemistry Domainmentioning

confidence: 99%

“…Unattended analysis is one of the ultimate goals of laboratory automation projects. 33 Before an instrument can carry out an automated analysis, the controlling system must be able to perform successfully a series of tasks while unattended. The "successful" part requires that the control software can assess the quality of the results of on-going tasks, which include calibration of the instrument, modification of run-time parameters, analysis of feed-back signals, diagnosis of operational errors, and modification of sample introduction procedures.…”

Section: Expert System Applications In the Chemistry Domainmentioning

confidence: 99%

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Expert Systems and Analytical Chemistry: Recent Progress in the ACexpert Project

Zhu

Stillman

1996

J. Chem. Inf. Comput. Sci.

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In this paper we discuss the application of expert system technology in the analytical chemistry domain and summarizes the progress made in the implementation of the ACexpert project. We start with a brief description of the software tools that are commonly used in construction of expert system applications as well as the inference mechanisms employed to search the knowledge base. A brief review of the achievements made world wide during the past five years in the development of expert systems for use in the chemistry domain follows. This paper particularly addresses the difficulties found in the knowledge acquisition process. An effective knowledge encoding scheme, named the knowledge domain matrix process (KDM), that has been developed in our laboratory as an knowledge encoding alternative, is described. In the final section, we describe the development of several stand-alone expert system modules based on implementation of the KDM scheme within the framework of the ACexpert project. The importance of the user interface in an expert system program is also emphasized, and graphical user interfaces featuring icons, pull-down menus, and graphical descriptions have been developed for the different modules in the ACexpert project to ensure a user-friendly and self-explanatory environment.

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Knowledge base generation for the GCdiagnosis system

Huang

Stillman

1996

Analytica Chimica Acta

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Automated Chromatographic Data Interpretation Using an Expert System

Cited by 9 publications

References 0 publications

Review of the Use of Liquid Chromatography-Tandem Mass Spectrometry in Clinical Laboratories: Part II–Operations

Review of the Use of Liquid Chromatography-Tandem Mass Spectrometry in Clinical Laboratories: Part II–Operations

Expert Systems and Analytical Chemistry: Recent Progress in the ACexpert Project

Knowledge base generation for the GCdiagnosis system

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