Structure representation - PowerPoint PPT Presentation

The need for data standards. How the InChI Project is more than just a standard for chemists.

The need for data standards. How the InChI Project is more than just a standard for chemists. Stephen Heller InChI-Trust Project Director steve@inchi-trust.org The main web sites for the IUPAC InChI project are: http://www.iupac.org/inchi and

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Prediction of NMR Chemical Shifts. A Chemometrical Approach

Prediction of NMR Chemical Shifts. A Chemometrical Approach. К.А. Blinov , Y . D . Smurnyy , Т. S . Churanova , М.Е. Elyashberg Advanced Chemistry Development (ACD). Structure and its spectral data. Spectra. Structure. Sometimes solution is not obvious.

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430 views • 29 slides

Yingcai Xiao

Chapter 5 Basic Data Representation. Yingcai Xiao. Characteristics of Data. Discrete  Interpolation P1, P2 Regular/Irregular Data Dimensions. Data Structure Design Criterion. Compact (save space) Efficient (fast retrieval) Map- able (easy to convert)

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429 views • 29 slides

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