Selected Publications

Articles In Academic Journals

Year Title
2003 Quality Control and Data AnalysisHandbook of Chemoinformatics: From Data to Knowledge in 4 Volumes. 410-422.
2001 Statistical Analysis of DOE EML QAP Data from 1982 to 1998Journal of chemical information and computer sciences. 1099-1105.
2000 A slope-ratio method for quantitative open-path FTIRField Analytical Chemistry & Technology. 127-133.
2000 Using PERT methodology in nuclear material safeguards and chemical process controlEnvironmental Modeling and Assessment. 139-143.
1999 Quantitative open-path FTIR with the use of isotopic standardsField Analytical Chemistry & Technology. 105-110.
1999 Spectral matching quantitative open-path fourier-transform infrared spectroscopyField Analytical Chemistry & Technology. 37-43.
1994 Object-Oriented Programming Applied to Laboratory Automation. 3.The Standard Robot Interface Protocol for the Analytical DirectorJournal of chemical information and computer sciences. 558-569.
1993 Object-oriented programming applied to laboratory automation. 2. The object-oriented Chemical Information Manager for the Analytical DirectorJournal of chemical information and computer sciences. 569-576.
1992 An expert system for analytical data managementJournal of chemical information and computer sciences. 148-153.
1992 Object-oriented programming applied to laboratory automation. 1. An icon-based user interface for the Analytical DirectorJournal of chemical information and computer sciences. 79-87.
1992 The blackboard: a strategy for laboratory roboticsJournal of chemical information and computer sciences. 96-100.
1991 Application of standard robotic methods to water analysisJournal of chemical information and computer sciences. 546-551.
1991 Development of a robotic standard addition methodAnalytica chimica acta. 215-221.
1991 ENVIRONMENTAL ANALYSIS USING THE ANALYTICAL DIRECTOR AN ARTIFICIAL INTELLIGENCE/ROBOTIC SYSTEMAnalytical sciences. 671-673.
1990 Laboratory robotics and artificial intelligence.Clinical chemistry. 1561-1566.
1988 Application of robust eigenvectors to the compression of infrared spectral librariesAnalytical Chemistry. 2687-2692.
1988 Complexometric analysis using an artificial intelligence driven robotic systemAnalytical Chemistry. 1142-1145.
1988 Estimation of interferences from an accompanying component usingSpringer. 810-814.
1988 Expert Systems and RoboticsJournal of Research of the National Bureau of Standards. 209-212.
1988 TORTS: an expert system for temporal optimization of robotic proceduresJournal of chemical information and computer sciences. 215-221.
1988 Using analytical data to build expert systemsJournal of chemical information and computer sciences. 159-163.
1987 A quantitative measure of the reliability of searches of spectral librariesAnalytica chimica acta. 105-119.
1987 ARTS: a flexible laboratory instrument control languageJournal of chemical information and computer sciences. 137-143.
1987 Closure effects on infrared spectral library search performanceApplied spectroscopy. 1298-1302.
1987 Compression of infrared libraries by eigenvector projectionApplied spectroscopy. 449-453.
1987 Infrared Library Search on Principal-Component-Analyzed Fourier-Transformed Absorption SpectraApplied spectroscopy. 185-195.
1987 Time-warping algorithm applied to chromatographic peak matching gas chromatography/Fourier transform infrared/mass spectrometryAnalytical Chemistry. 649-654.
1986 On robust partial discriminant analysis as a decision-making tool with clinical and analytical chemical dataComputers and Biomedical Research. 1-12.
1985 A method for early discovery of poisoning in catalytic chemical processesJournal of chemical information and computer sciences. 81-84.
1985 Automated Pattern Recognition: Self-Generating Expert Systems for the FutureJournal of Research of the National Bureau of Standards.
1985 Effect of concentration gradients on spectra in gas chromatography/Fourier transform infrared spectrometryAnalytical Chemistry. 1472-1474.
1985 Instrumental dependence of optimal interferogram sampling for gram-Schmidt reconstructions of gas chromatography/Fourier transform infrared dataApplied spectroscopy. 288-296.
1985 Robotics In The LaboratoryJournal of chemical information and computer sciences. 292-295.
1984 Comparison of methods for reconstructing chromatographic data from liquid chromatography Fourier transform infrared spectrometryAnalytical Chemistry. 1268-1272.
1983 Accurate Assignment of Kovats Retention Indices for GC/FTIR DataJournal of Chromatographic Science. 241-245.
1983 Infrared spectra compression procedure for resolution independent search systemsAnalytical Chemistry. 1548-1553.
1983 Search system for infrared and mass spectra by factor analysis and eigenvector projectionAnalytical Chemistry. 1117-1121.
1983 The Future of Analytical Chemistry: Will There Be One?Analytical Chemistry. 824A-834A.
1982 Compression of an infrared spectral library by Karhunen-Loeve transformationApplied spectroscopy. 40-47.
1982 Cross-correlation signal/noise enhancement with applications to quantitative gas chromatography/Fourier Transform infrared spectrometryAnalytical Chemistry. 1927-1931.
1982 Data evaluation in combined gas chromatography—infrared spectroscopy—mass spectrometryAnalytica chimica acta. 1-10.
1982 Factor analysis for real-time gas chromatography/Fourier transform infrared spectrometric chromatogram reconstructionsAnalytical Chemistry. 2344-2347.
1982 Quantitative gas chromatography/Fourier transform infrared spectrometry with integrated gram-Schmidt reconstruction intensitiesAnalytical Chemistry. 1922-1926.
1981 An On-Line Class-Specific GC/FTIR Reconstruction from Interferometric DataJournal of Chromatographic Science. 283-289.
1981 Clipped Fourier transform mass spectral compression algorithm for microcomputer-compatible search systemsAnalytical Chemistry. 1679-1684.
1981 Equivalent width criterion for determining frequency domain cutoffs in fourier transform smoothingAnalytical Chemistry. 1179-1182.
1981 Practical computation with Fourier transforms for data analysisAnalytical Chemistry. 889A-901A.
1980 Functional group analysis of interferometric data from gas chromatography Fourier transform infrared spectroscopyApplied spectroscopy. 7-14.
1980 Minimizing relative error in the preparation of standard solutions by judicious choice of volumetric glasswareAnalytical Chemistry. 1158-1161.
1979 A Comparison of Methods Used for the Reconstruction of GC/FT-IR ChromatogramsJournal of Chromatographic Science. 423-427.
1979 A GC/FT-IR Compound Identification SystemJournal of Chromatographic Science. 434-440.
1979 An infrared search system based on direct comparison of interferogramsApplied spectroscopy. 444-450.
1979 Fisher Discriminant Functions for a Multilevel Mass Spectral Filter NetworkJournal of chemical information and computer sciences. 255-259.
1979 Identification of components in mixtures by a mathematical analysis of mass spectral dataAnalytica chimica acta. 151-164.
1979 Library retrieval of infrared spectra based on detailed intensity informationApplied spectroscopy. 371-376.
1979 Mass spectral library searches using ion series data compressionJournal of chemical information and computer sciences. 98-104.
1979 The Evaluation of Mass Spectral Search AlgorithmsJournal of chemical information and computer sciences. 179-186.
1978 Application of a text search system based on boolean strategy to mass spectral data identificationAnalytica chimica acta. 109-120.
1978 Principal component analysis of the infrared spectra of mixturesAnalytica chimica acta. 213-221.
1977 COLOR AT LOW-COSTOPTICAL SPECTRA. 37-39.
1977 Comparison of various K-nearest neighbor voting schemes with the self-training interpretive and retrieval system for identifying molecular substructures from mass spectral dataAnalytical Chemistry. 1720-1722.
1977 Error Tabulation by Text Searching of Large Chemical Data Base Compilations—Application to the ASTM Infrared Spectral IndexApplied spectroscopy. 18-25.
1977 Feasibility of a one-dimensional search systemComputers & Chemistry. 243-250.
1977 Minimal spanning tree clustering of gas chromatographic liquid phasesComputers & Chemistry. 145-153.
1977 Reconstruction of gas chromatograms from interferometric gas chromatography/infrared spectrometry dataAnalytical Chemistry. 1977-1981.
1977 SBN 250 40112 6 Chromium: Its Physicochemical Behavior and Petrologic Significance. Papers from a Carnegie Institution of WashingtonChemistry in Britain. 159.
1976 Direct optical encoding of recorded spectra with a computer interfaced vidicon television cameraAnalytical Chemistry. 1513-1517.
1976 Factor analysis of the mass spectra of mixturesAnalytical Chemistry. 591-595.
1976 Pattern recognition methods for the classification of binary infrared spectral dataApplied spectroscopy. 213-216.
1976 Progressive filter network: A general classification algorithmComputers & Chemistry. 3-5.
1976 Relation between mutual information and classificationAnalytical Chemistry. 1027-1031.
1976 Selecting liquid phases for multiple column gas chromatography from their eigenvector projectionsJournal of Chromatographic Science. 126-129.
1975 A Feature Selection Technique for Binary Infrared SpectraJournal of chemical information and computer sciences. 212-215.
1975 A Rapid Generalized Minicomputer Text Search System Incorporating Algebraic Entry of Boolean StrategiesJournal of chemical information and computer sciences. 115-119.
1975 A Text Search System Using Boolean Strategies for the Identification of Infrared SpectraJournal of chemical information and computer sciences. 207-212.
1975 A comparison of two discriminant functions for classifying binary infrared dataApplied spectroscopy. 226-230.
1975 An algorithm for a selective nearest neighbor decision rule (Corresp.)IEEE Transactions on Information Theory. 665-669.
1975 Density estimations and the characterization of binary infrared spectraTechnometrics. 455-462.
1975 Factor analysis of mass spectraAnalytical Chemistry. 2286-2288.
1975 Multiple discriminant function analysis of carbon-13 nuclear magnetic resonance spectra. Functional group identification by pattern recognitionAnalytical Chemistry. 1849-1851.
1975 Preferred stationary liquids for gas chromatographyJ. Chromatogr. Sci. 115-17.
1975 Probability discriminant functions for classifying binary infrared spectral dataAnalytical Chemistry. 1126-1128.
1975 Similarity measures for the classification of binary infrared dataAnalytical Chemistry. 2027-2030.
1975 Simplex pattern recognitionAnalytical Chemistry. 1951-1956.
1974 Applications of pattern recognition to chemistryTaylor & Francis.
1974 Bayesian decision theory applied to the multicategory classification of binary infrared spectraAnalytical Chemistry. 2150-2154.
1974 CCl4-reactions at high temperatures: Illustration of steric effects using atomic modelsJ. Chem. Educ. 266.
1974 Computer controlled television scan system for direct encoding of chemical structure modelsAnalytical Chemistry. 422-426.
1974 Information content of mass spectra as determined by pattern recognition methodsAnalytical Chemistry. 223-226.
1973 An approach to computer-assisted drill in synthetic organic chemistryJ. Chem. Educ. 645.
1973 Empirical studies of separability and prediction using threshold logic unitsPattern Recognition. 249-257.
1973 Introduction to computer programming in basicJ. Chem. Educ. 728.
1973 Learning machinesComput. Chem. Instrum. 330.
1973 Measurement of zirconium-hafnium ratios in geological samples by electron impact mass spectrometryAnalytical Chemistry. 1269-1271.
1973 Preparation of zirconium $?$-diketonate complexes from zirconium oresAnalytical Chemistry. 198-200.
1973 Rapid, memory-conserving, compiler-level search algorithm for mixture spectraAnalytical Chemistry. 2153-2154.
1973 Rohrschneider constants: a correction in the method of calculationJournal of Chromatography A. 366-369.
1972 Application of a complex-valued nonlinear discriminant function to low-resolution mass spectraAnalytical Chemistry. 2087-2089.
1972 Introduction to computer programming for chemistsAllyn and Bacon.
1972 Isotopic analysis of chromium in lunar materials by mass spectrometry of the trifluoroacetylacetonateAnalytical Chemistry. 665-671.
1972 Mass spectrometric isotope ratio measurements and peak area integration using the peak-switching feature of the AEI MS-902Analytical Chemistry. 659-664.
1972 On machine intelligence applied to chemical problemsThe Application of Computer Techniques in Chemical Research, Institute of Petroleum, London. 189-205.
1971 Chemical applications of machine intelligenceeAnalytical Chemistry. 20A-35a.
1971 Computerized learning machines applied to chemical problems. Optimization of a linear pattern classifier by the addition of a" Width" parameterAnalytical Chemistry. 845-849.
1971 Investigation of the Fourier Transform for Analyzing Spectroscopic Data by Computerized Learning MachinesApplied spectroscopy. 203-207.
1971 Small computer, magnetic tape oriented, rapid search system applied to mass spectrometryAnalytical Chemistry. 1605-1614.
1971 The application of a piecewise-linear multi-category pattern classifier with self-evolving capabilities to the interpretation of mass spectraPattern Recognition. 281-296.
1970 Computerized learning machines applied to chemical problems. Molecular structure parameters from low resolution mass spectrometryAnalytical Chemistry. 1387-1394.
1970 Photographic method of pulse height analysisJ. Chem. Educ. 719.
1970 Semiquantitative analysis of mixed gamma-ray spectra by computerized learning machinesAnalytical Chemistry. 737-743.
1969 An analog computer controlled gamma-ray spectrometer for comparative activation analysisModern Trends in Activation Analysis: Proceedings. 938.
1969 An analog computer controlled gamma-ray spectrometer for comparative activation analysis(Analog computer controlled gamma ray spectrometer for activation analysis)NATL. BUR. OF STD. MOD. TRENDS IN ACTIVATION ANALYSIS.
1969 Computerized learning machines applied to chemical problems. Convergence rate and predictive ability of adaptive binary pattern classifiersAnalytical Chemistry. 690-695.
1969 Computerized learning machines applied to chemical problems. Interpretation of infrared spectrometry dataAnalytical Chemistry. 1945-1949.
1969 Computerized learning machines applied to chemical problems. Molecular formula determination from low resolution mass spectrometryAnalytical Chemistry. 21-27.
1969 Computerized learning machines applied to chemical problems. Multicategory pattern classification by least squaresAnalytical Chemistry. 695-700.
1969 Determination of samarium and gadolinium in rare earth ores by neutron-capture. gamma.-ray activation analysisAnalytical Chemistry. 1113-1116.
1969 Investigation of combined patterns from diverse analytical data using computerized learning machinesAnalytical Chemistry. 1949-1953.
1969 Mass spectrometric determination of chromium as chromium (III) hexafluoroacetylacetonateAnalytical Chemistry. 1705-1707.
1969 Ultra-trace mass-spectrometric metal analysis using 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione chelatesAnalytical Chemistry. 998-1003.
1969 X-Ray Emission Analysis of High Atomic Number Elements: A New Excitation Source Using Monoenergic 477 keV $?$-Rays from the 10 B (n, $?$) 7m Li? 7 Li ReactionApplied spectroscopy. 1-4.
1968 Analytical function for describing. gamma.-ray pulse-height distributions in NaI (Tl) scintillatorsAnalytical Chemistry. 1186-1193.
1968 Neutron-capture gamma-ray activation analysis. Design of apparatus for trace analysisThe International Journal of Applied Radiation and Isotopes. 15-22.
1967 Binomial distribution statistics applied to minimizing activation analysis counting errorsAnalytical Chemistry. 1388-1394.
1966 Determination of Boron by Thermal Neutron Activation Analysis Using a Modulation Technique.Analytical Chemistry. 167-169.
1966 Modulation Technique for Neutron Capture Gamma Ray Measurements in Activation Analysis.Analytical Chemistry. 162-167.
1965 Computer programs to optimize times of irradiation and decay in multielement activation analysisProc. Modern Trends in Activation Analysis, College Station, TX.
1965 INSTRUMENTAL ACTIVATION ANALYSIS USING NEUTRON CAPTURE AND DELAYED GAMMA-RAY SPECTROMETRY (Thesis)Cornell Univ..
1964 A Computer Program to Optimize Times of Irradiation and Decay in Activation AnalysisAnalytical Chemistry. 1089-1092.

Books

Year Title
2013 Computer-enhanced analytical spectroscopy
1991 Basic pro chemiky
1989 Computer applications in chemistry.  Ed. 514. 
1987 BASIC programming for chemists: an introduction
1983 Digital Computers in Analytical Chemistry
1983 Metody rozpoznawania obrazów w chemii
1977 Raspoznavanie obrazov v chimii
1975 Chemical applications of pattern recognition.  USA: Wiley.
1973 Introduction to Computer Programming for the Social Sciences.  Boston: Allyn and Bacon.
1965 Instrumental activation analysis using neutron capture and delayed gamma ray spectrometry
1964 Instruction Manual for Program Optimize A Computer Program to Optimize Times of Irradiation and Decay in Activation Analyses

Chapters

Year Title
2008 Quality Control and Data AnalysisHandbook of Chemoinformatics. Wiley-VCH Verlag GmbH.
1970 Ultratrace metal analysis by mass spectrometry of volatile metal $?$-diketonatesDevelopments in Applied Spectroscopy. Springer.

Conference Papers

Year Title
2000 New paradigm for doctoral education in Chemistry and Biochemistry..  U301-U301.
1995 OUTCOMES BASED ROBOTICS.  118-IEC.
1992 AN ARTIFICIAL-INTELLIGENCE ROBOTIC SYSTEM FOR THE ANALYTICAL LABORATORY.  163-ANYL.
1990 The design and implementation of an analytical chemistry expert system.  1073-1078.
1988 ROBOTICS AND ARTIFICIAL-INTELLIGENCE IN ANALYTICAL-CHEMISTRY-AN INEVITABLE REVOLUTION.  5-ANYL.
1988 ROBUST TIME SERIES MODELS APPLIED TO STATISTICAL PROCESS CONTROL.  195.
1987 ARTIFICIAL-INTELLIGENCE, ROBOTICS AND EXPERT SYSTEMS.  64-IAEC.
1987 THE FOURIER-TRANSFORM.  106-CHED.
1986 DIGITAL-COMPUTERS IN ANALYTICAL-CHEMISTRY.  6-COMP.
1983 COMBINED GAS CHROMATOGRAPHY-FOURIER TRANSFORM INFRARED SPECTROSCOPY.  1.
1983 MATHEMATICAL TECHNIQUES FOR EFFICIENT DATA-PROCESSING OF INTERFEROGRAMS.  26-PEST.
1983 THE FUTURE IS THE COMPUTER IN THE CHEMISTRY LAB.  90-CHED.
1981 A RAPID, MICROCOMPUTER COMPATIBLE MASS-SPECTRAL SEARCH SCHEME USING BIT COMPRESSED FOURIER-TRANSFORM MASS-SPECTRA.  122-ANYL.
1981 COMPUTER TECHNIQUES FOR COMBINED GAS CHROMATOGRAPHY-MASS SPECTROSCOPY-INFRARED SPECTROSCOPY.  30-CINF.
1975 DIMENSIONALITY REDUCTION AND FEATURE SELECTION FOR BINARY INFRARED-SPECTRA.  43-43.
1975 NEAREST NEIGHBOR CLASSIFICATIONS OF BINARY INFRARED DATA.  41-41.
1975 RELATING MUTUAL INFORMATION TO CLASSIFICATION.  42-42.
1975 TEXT SEARCHING OF CHEMICAL DATA BASES.  48-48.
1974 COMPARISON OF PATTERN-RECOGNITION METHODS FOR INTERPRETING MASS-SPECTRA.  21-21.
1971 COMPUTERIZED LEARNING MACHINES-APPLICATIONS TO SPECTROSCOPY.  136.
1971 Variations in beryllium and chromium concentrations in lunar fines compared with crystalline rocks.  275-277.
1969 Computerized Learning Machines Applied to Chemical Problems-on Pattern Classification in Analytical Data Treatment.  AN23.
1969 MASS SPECTROMETRIC TRACE METAL ANALYSIS USING HEPTAFLUORODIMETHYLOCTANEDIONE CHELATES.  AN41.
1969 PATTERN CLASSIFICATION IN ANALYTICAL MASS SPECTROMETRY.  AN52.
1968 NEW EXCITATION SOURCE USING MONOENERGETIC 477-KEV GAMMA-RAYS FROM 10B (N, ALPHA) 7MLI-] 7LI REACTION.  370.