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N.L. Allinger and P.C. Jurs announced as 1989 ACS award winners
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
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