Evolutionary chemistry

Weber, L. (2002) Multi-Component Reactions and Evolutionary Chemistry. Drug Discovery Today, 7, 143-147. 

Miller CP (2002) SERMSs evolutionary chemistry, revolutionary biology. Curr Pharm Des 8 2089-2111... 

Nieuwlandt, D., Kellogg, E., Wecker, M., Qui, J., Wolk, S., Tarasow, T., Dewey, T., Eaton, B. Anti-MRSA drug leads from evolutionary chemistry. American Society of Microbiology (ASM) Annual Interscience Conference on Antimicrobial Agents and Chemotherapy (ICAAC). 12-17 (2001). 

Key words Combinatorial chemistry, genetic algorithms, combinatorial optimisation, QSAR, evolutionary chemistry, very large compound libraries... 

Evolutionary Chemistry. An alternative pathway to the directed synthesis of... 

L. Weber, Drug Discov. Today 2002, 7, 143-147. Multi-component reactions and evolutionary chemistry. 

GAs or other methods from evolutionary computation are applied in various fields of chemistry Its tasks include the geometry optimization of conformations of small molecules, the elaboration of models for the prediction of properties or biological activities, the design of molecules de novo, the analysis of the interaction of proteins and their ligands, or the selection of descriptors [18]. The last application is explained briefly in Section 9.7.6. 

A. V. Homeyer, Evolutionary Algorithms and Applications in Chemistry, in Handbook of Chemoinformatics -From Data To Knowledge, J. Gasteiger (Ed.), Weinheim, Wiley-VCH, 2003. 

Jones G 1998. Genetic and Evolutionary Algorithms. In Schleyer, P v R, N L Allinger, T Clark, J Ga Steiger, P A Kollman, H F Schaefer III and P R Schreiner (Editors) The Encyclopedia oj Computational Chemistry. Chichester, John Wiley Sons. 

GeUiaar D K, G M Verkhivker, P A Rejto, C J Sherman, D B Fogel, L J Fogel and S T Freer 1995 Molecular Recognition of the Inhibitor AG-1343 by HFV-l Protease Conformationally FlexibL Docking by Evolutionary Programming. Chemistry and Biology 2 317-324. 

The performance of a chemical plant depends upon an enormously high number of design and operating variables. This great number of process variables makes it impossible to find optimal conditions within the region of safe operation if no quantitative relationships (defined in terms of mathematics) between performance indices and process variables are known. In general, optima are complex functions of process variables, and therefore quantification of experimental ressults is needed. The methods for scale-up that were conventionally used at the time of Perkin chemistry resulted in successful commercialization of many laboratory recipes. This evolutionary, step-by-step method of scale-up is illustrated in Fig. 5.3-1 (after Moulijn et al. 2001). 

Martin, W. and Russell, M.J. (2003). On the origin of cells a hypothesis for the evolutionary transition from abiotic chemistry to chemoautotrophic prokaryotes, and from prokaryotes to nucleated cells. Philos. Trans. R. Soc. London, B 358, 27-85... 

Heat of vaporisation. Water has a very large heat capacity (a large amount of energy has to be removed to lower the temperature by 1°C) and a large heat of vaporisation. This means that the temperature in solution is stabilised by the thermochemical properties of the water as a solvent. All life forms on Earth stabilise their internal environments with respect to temperature and composition so that the internal chemistry or metabolism is kept constant - a process called homeostasis. It would, however, be possible to learn to live in an environment that was fluctuating more wildly and develop a unique evolutionary niche. 

Steipe, B. (1999). Evolutionary approaches to protein engineering. Combinatorial Chemistry in Biology 243, 55-86. 

Vitalism occupied the epistemological gap in life science that began to close definitively only with the emergence in molecular genetics of a theory that finally clarified the mechanisms that sorted and ordered material elements into living organisms, that produced the invariant replication of species, and that enabled the retention of evolutionary variations as they randomly arose. The doctrine of the life force began with the reasonable idea that the new chemistry of its... 

Evolutionary algorithms have been widely used in other areas of physical chemistry, such as photonics. An interesting application is from Lipson et al.16 where the spontaneous emergence of structure was evident when using GAs to design a high-confinement photonic structure. 

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