Optimisation diversity

Gillet, V. J., Willett, P, and Bradshaw, J. (1999) Selecting combinatorial libraries to optimise diversity and physical properties. J. Chem. Inf Comput. Sci. 39, 167-177. 

M, J P Bielawski, J C Hempel and M Waldman 1996. Optimisation and Visualisation of ecular Diversity of Combinatorial Libraries. Molecular Diversity 2 64-74. 

It must be emphasised that eleetrie-are synthesis must be optimised for eaeh partieular apparatus and that different laboratories may aetually produee quite diverse samples. Henee, it is important to earefully eharaeterise the CNT samples used in any experiment. 

Even when a successful process has been established, continuous improvement is required to meet the challenges of competitors. Ongoing commercial success will rely, therefore, on optimisation of the many diverse stages in the bioprocess through research and development. For a typical bioprocess, the stages may indude ... 

Hassan M, Bielawski JP, Hempel JC, Waldman M. Optimisation and visualisation of molecular diversity of combinatorial libraries. Mol Diversity 1996 2 64-74. 

This basic chemistry generator system has proved itself to be adept at producing a diverse range of chemistry (e.g. Garcia-Egido et al. 2002, 2003). However, it is more effective operation as a lead optimising device if certain tasks can be off-loaded to two sister machines which act in concert with the main device. These are similar in their configuration to the main machine but are adapted to achieve their specific roles. Thus a reaction validation and optimisation platform (VOP Fig. 4) takes this role offline. 

Most of this book concerns the development and application of theoretical thermodynamic models, as these are the basis of the CALPHAD method. However, none of this would be possible without the existence of the computational methods and software which allow these models to be applied in practice. In essence, the issues involved in computational methods are less diverse and mainly revolve around Gibbs energy minimisation. In addition, there are optimiser codes which are used for the thermodynamic assessment of phase equilibria. The essential aim of these codes is to reduce the statistical error between calculated phase equilibria, thermodynamic properties and the equivalent experimentally measured quantities. 

Mason, J. S. and Beno, B. R. (2000) Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints simultaneous optimisation and structure-based diversity. J. Mol. Graph. Model. 18, 438-451. 

HPLC is a complex analytical methodology that involves the development of a unique method for each new application. This method development often requires the optimisation of several method conditions to achieve a desired selectivity and sensitivity [12,13]. HPLC is also one of the most commonly applied analytical techniques and is in widespread use throughout the pharmaceutical industry for applications as diverse as quality control, stability studies and clinical trials. These two reasons mean that HPLC has been the focus of most research into ruggedness testing procedures because it is most likely to require extensive ruggedness... 

Fig. 17 (a) Optimised synthesis of PPI dendrimers. (b) Diverse functionalisation of G2 PPI dendrimers... 

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