- Email: [email protected]
Japanese computer network to be established
Chemometrics and Intelligent Laboratory Systems
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N.L. Allinger and P.C. Jurs announced as 1989 ACS award winners Prof. N.L. Allinger of the University of Georgia has been awarded the James Flack Norris award in Physical Organic Chemistry. Allinger’s early work was in natural products synthesis and NMR spectroscopy. In the 1960s he was one of the first investigators to develop computer programs for molecular mechanics calculations and has made several organic chemical programs available through the Quantum Chemistry
Program Exchange. In 1980 he founded the journal Computational Chemistry. He is one of the first organic chemists to pioneer the use of computer programs for calculations: now these approaches are in routine use in molecular mechanics software packages and are beginning to revolutionise the way organic and pharmaceutical chemists analyse conformations and compare structural isomers.
SERC awards grant to Prof. P. Brown, Liverpool University, U.K. Studies on measurement error modelling and calibration, a project supported by the recently announced SERC Complex Stochastic Systems initiative, are for basic research on the development of estimators, confidence procedures and graphical tech-
niques of model evaluation for measurement error models in calibration. The theory of statistical errors in electronic instrumentation is underdeveloped and critically influences the resultant calibration model. This lies at the heart of chemometrics.
Japanese Computer Network to be established The Todai International Science Network, developed by Tokyo University, will aim to link most of the main research institutes in Japan. A difficulty is that because of various
competing interests many of the large research institutes find themselves computationally isolated for historic reasons. Initial support will be from Fujitsu, but eventual running costs
Prof. P.C. Jurs of the Pennsylvania State University received the ACS award for computers in chemistry, sponsored by Digital Equipment Co. His best known work is in the area structure-property relationships and pattern recognition. He has developed the ADAPT computer software package for this purpose, and has applied chemometric methods to a variety of analytical data including mass spectrometric, 13C NMR, chromatographic and infrared.
Many chemometricians use established methods without first debating and considering the nature and source of errors. Work will be performed on a SUN computer using the language S. Collaboration with several industrial firms in the U.K. is envisaged as well as with Professors C. Spiegelman and R. Carroll in the U.S.A. and Professor S. Oman in Israel.
will be shared by about 10 major institutes and Tokyo University. There are many problems to overcome including high telecommunication rates, slow rates of data transmission in existing networks, and the tendency of research institutes to favour large mainframes rather than medium size workstations. A major projected feature is a link
4
Monitor
I
to many Western networks via Hawaii, using the Pan-Pacific network established by Prof. T. Nielson of the Department of Computer Science at the University of Hawaii. This
cable link should allow Japanese access to many U.S. and West European systems and permit Japanese scientists to log in to for-
Recent journals established Chemometrics is a very broad subject and, although the main chemical applications are reported in chemometrics and related chemical journals, the computational areas upon which chemometrics is based are likewise rapidly developing. There are several recently established journals that may interest readers of Chemometrics and Intelligent Luboratory Systems.
m
International Journal of Pattern Recognition and Artificial Intelligence is published by World Scientific. Traditionally these two areas have remained separate, served by separate journals. A special feature is to accept articles that unite both approaches. International Journal of Experts Systems: Research and Applications is published by JAI (Greenwich, Connecticut and London). This
eign computers with hardly noticeable time lag.
journal serves expert system users and designers. Subject areas include natural-language processing, machine reasoning, cognitived modelling etc. The slant is fairly theoretical and largely American in outlook. AI & Society: The Journal of Human and Machine Intelligence (published by SpringerVerlag) concentrates on philosophical and sociological issues of interest to sociologists, economists, anthropologists, managers and so on.
Meeting Announcements
Chemometrics Section at the XIVth International Congress of Clinical Chemistry The XIVth International Congress of Clinical Chemistry is to be held in San Francisco from 22 to 26 July 1990. It will feature a symposium on the topic of Data Analysis through Chemometrics and Expert Systems, organized by Dr. Robert Rej (Wadsworth Laboratories, New York State Department of Health, Albany,
NY 12201-0509, U.S.A.). The provisional program is as follows: - D.L. Massart: Expert systems for chemometric techniques: optimization and validation - Robert Meglen: Exploratory data analysis: converting data into information - Wolfgang Vogt: Cluster analysis
MaxEnt 90. Tenth Annual Workshop on Maximum Entropy and Bayesian Methods, Laramie, WY, U.S.A., 30 July-3 August 1990 As in the past the Workshop will provide a forum for the discussion of
theoretical developments and practical applications of maximum-entropy
in clinical chemical diagnosis of liver diseases _ Paul Compton: Long-term maintenance of expert systems Chairman: Jean-Pierre Bretaudiere. Correspondence address: XIVth International Congress of Clinical Chemistry, c/o American Association for Clinical Chemistry, 2029 K Street, NW, Suite 700, Washington, DC 20006, U.S.A. Tel.: 202-8570717: Fax: 202-887-5093.
and Bayesian techniques in all areas of intellectual endeavor. Sessions will be centered around key lectures in areas including signal processing, tomography, geostatistics, applied mathematics, various subareas of physics, pattern recognition, economics, and others, complemented by a limited number of contributed pa-
6
n
News
N.L. Allinger and P.C. Jurs announced as 1989 ACS award winners Prof. N.L. Allinger of the University of Georgia has been awarded the James Flack Norris award in Physical Organic Chemistry. Allinger’s early work was in natural products synthesis and NMR spectroscopy. In the 1960s he was one of the first investigators to develop computer programs for molecular mechanics calculations and has made several organic chemical programs available through the Quantum Chemistry
Program Exchange. In 1980 he founded the journal Computational Chemistry. He is one of the first organic chemists to pioneer the use of computer programs for calculations: now these approaches are in routine use in molecular mechanics software packages and are beginning to revolutionise the way organic and pharmaceutical chemists analyse conformations and compare structural isomers.
SERC awards grant to Prof. P. Brown, Liverpool University, U.K. Studies on measurement error modelling and calibration, a project supported by the recently announced SERC Complex Stochastic Systems initiative, are for basic research on the development of estimators, confidence procedures and graphical tech-
niques of model evaluation for measurement error models in calibration. The theory of statistical errors in electronic instrumentation is underdeveloped and critically influences the resultant calibration model. This lies at the heart of chemometrics.
Japanese Computer Network to be established The Todai International Science Network, developed by Tokyo University, will aim to link most of the main research institutes in Japan. A difficulty is that because of various
competing interests many of the large research institutes find themselves computationally isolated for historic reasons. Initial support will be from Fujitsu, but eventual running costs
Prof. P.C. Jurs of the Pennsylvania State University received the ACS award for computers in chemistry, sponsored by Digital Equipment Co. His best known work is in the area structure-property relationships and pattern recognition. He has developed the ADAPT computer software package for this purpose, and has applied chemometric methods to a variety of analytical data including mass spectrometric, 13C NMR, chromatographic and infrared.
Many chemometricians use established methods without first debating and considering the nature and source of errors. Work will be performed on a SUN computer using the language S. Collaboration with several industrial firms in the U.K. is envisaged as well as with Professors C. Spiegelman and R. Carroll in the U.S.A. and Professor S. Oman in Israel.
will be shared by about 10 major institutes and Tokyo University. There are many problems to overcome including high telecommunication rates, slow rates of data transmission in existing networks, and the tendency of research institutes to favour large mainframes rather than medium size workstations. A major projected feature is a link
4
Monitor
I
to many Western networks via Hawaii, using the Pan-Pacific network established by Prof. T. Nielson of the Department of Computer Science at the University of Hawaii. This
cable link should allow Japanese access to many U.S. and West European systems and permit Japanese scientists to log in to for-
Recent journals established Chemometrics is a very broad subject and, although the main chemical applications are reported in chemometrics and related chemical journals, the computational areas upon which chemometrics is based are likewise rapidly developing. There are several recently established journals that may interest readers of Chemometrics and Intelligent Luboratory Systems.
m
International Journal of Pattern Recognition and Artificial Intelligence is published by World Scientific. Traditionally these two areas have remained separate, served by separate journals. A special feature is to accept articles that unite both approaches. International Journal of Experts Systems: Research and Applications is published by JAI (Greenwich, Connecticut and London). This
eign computers with hardly noticeable time lag.
journal serves expert system users and designers. Subject areas include natural-language processing, machine reasoning, cognitived modelling etc. The slant is fairly theoretical and largely American in outlook. AI & Society: The Journal of Human and Machine Intelligence (published by SpringerVerlag) concentrates on philosophical and sociological issues of interest to sociologists, economists, anthropologists, managers and so on.
Meeting Announcements
Chemometrics Section at the XIVth International Congress of Clinical Chemistry The XIVth International Congress of Clinical Chemistry is to be held in San Francisco from 22 to 26 July 1990. It will feature a symposium on the topic of Data Analysis through Chemometrics and Expert Systems, organized by Dr. Robert Rej (Wadsworth Laboratories, New York State Department of Health, Albany,
NY 12201-0509, U.S.A.). The provisional program is as follows: - D.L. Massart: Expert systems for chemometric techniques: optimization and validation - Robert Meglen: Exploratory data analysis: converting data into information - Wolfgang Vogt: Cluster analysis
MaxEnt 90. Tenth Annual Workshop on Maximum Entropy and Bayesian Methods, Laramie, WY, U.S.A., 30 July-3 August 1990 As in the past the Workshop will provide a forum for the discussion of
theoretical developments and practical applications of maximum-entropy
in clinical chemical diagnosis of liver diseases _ Paul Compton: Long-term maintenance of expert systems Chairman: Jean-Pierre Bretaudiere. Correspondence address: XIVth International Congress of Clinical Chemistry, c/o American Association for Clinical Chemistry, 2029 K Street, NW, Suite 700, Washington, DC 20006, U.S.A. Tel.: 202-8570717: Fax: 202-887-5093.
and Bayesian techniques in all areas of intellectual endeavor. Sessions will be centered around key lectures in areas including signal processing, tomography, geostatistics, applied mathematics, various subareas of physics, pattern recognition, economics, and others, complemented by a limited number of contributed pa-