Chemical template design

ActivityBase enables the capture, validation, and visualization of high-throughput screening data. Integration with Microsoft Excel provides flexibility analysis template design. The chemically... 

Chemical libraries are the topic of the final section and cover chemogenomics in compound library and template design for GPCRs (T. R. Webb), computational filters in lead generation (W. Guba), navigation in chemical space (G. Schneider... 

Chemical templation has been widely employed for the synthesis of mechanically interlocked strucmres. Some of these interlocked systems have potential in future chemical sensor design. Leigh and coworkers prepared many [2]rotaxanes via an active-metal template synthesis. For example, a [2]rotaxane R14 synthesized via a catalytic... 

The quinoid and benzenoid bond stretches of the PANI-NF were compared via PerkinElmer Spectrum One FTIR spectrometer. The PANI-NF samples were pelletized and sealed in a specially designed KBr cell for infrared measurements. Fourier transform infrared (FTIR) spectra of standard PANI and PANI-NF prepared from chemical templating method are shown in Fig. 8.18. 

D J, D W Lewis, C R A Catlow, G J Hutchings and J M Thomas 1997. Designing Templates for Synthesis of Microporous Solids Using De Novo Molecular Design Methods. Journal of Molecular alysis A Chemical 119 415-424. 

The same template as for compound 71 was used by Peukert et al. for a 2D similarity search in the Aventis in-house compound collection [144]. 75 Compounds with a similarity index >0.80 were biologically tested. The moderately active l-carboxy,8-sulfonamido-naphthalene (IC50 = 9.5pM), with insufficient chemical stability, was the starting point for the design of substi-... 

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