Knowledge-based approach

The Japanese program system AlPHOS is developed by Funatsu s group at Toyo-hashi Institute of Technology [40]. AlPHOS is an interactive system which performs the retrosynthetic analysis in a stepwise manner, determining at each step the synthesis precursors from the molecules of the preceding step. AlPHOS tries to combine the merits of a knowledge-based approach with those of a logic-centered approach. 

Comas J, Rodriguez-Roda I, Sanchez-Marre M, Cortes U, Freixo A, Arraez J, Poch M (2003) A knowledge-based approach to the deflocculation problem integrating on-line, off-line, and heuristic information. Water Res 37(10) 2377-2387... 

The central hypothesis of the knowledge-based approach [16, 17] is that pairwise contacts follow an exponential Boltzmann-like distribution [33] according to its interaction energy... 

Ghose, A. K., Viswanadhan, V. N., Wendoloski, J. J. A knowledge-based approach in designing combinatorial or medicinal chemistty libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases./. Comb. Chem. 1999, 1, 55-58. 

Chemogenomics Knowledge-Based Approaches to Drug Discovery (ed. E. Jacoby), Imperial College Press, London, pp.175-206. 

Knowledge based approaches such as fuzzy logic, neural networks or multiagents model currently constitute an important axis of research and application in bioprocesses. They have shown their usefulness particularly when one does not have an analytical model but that a certain expertise is available. Harmand and Steyer [37] have addressed that when this expertise comprises a sufficiently important know-how, approaches such as fuzzy logic will be preferred. If, on the other hand, one has only a limited experience but lays out of a rather important data base, the statistical approaches such as neural networks can be used. 

Chose AK, Viswanadhan VN, Wendoloski JJ. (1999) A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for... 

While large-scale systematic screening of natural (or synthetic) substances have yielded the bulk of modern pharmaceuticals, the use of more sophisticated knowledge-based approaches to drug discovery are now becoming increasingly routine. 

Subramanian, A., Tamayo, P., Mootha, V.K., Mukherjee, S., Ebert, B.L., Gillette, MA., Paulovich, A., Pomeroy, S.L., Golub, T.IL, Lander, E.S., et al, (2005) Gene Set Enrichment Analysis A Knowledge-Based Approach for Interpreting Genome-Wide Expression Profiles. Proc Natl Acad Sci USA, 102, 15545-15550. 

What then is the drug designer to do, in order to achieve selectivity, in the face of overall similarity between receptor sites Two knowledge-based approaches have been used, and therefore come within our definition of drug design. Both approaches rely heavily on computational techniques, and on a principle that increased selectivity will parallel increased affinity for the receptor of interest. 

In the knowledge-based approach presented here, the strategy is to derive potentials from known protein structures determined by X-ray diffraction. These structures are investigated with regard to the distributions of their atoms and atom-atom interactions. It is expected that these distributions contain information about typical native-like proteins. The next step is to relate these distributions to an energy-like quantity [1,5-12]. 

Verdonk, M.L., Cole, J.C., Taylor, R. SuperStar a knowledge-based approach for identifying interaction sites in proteins./. Mol. Biol. 1999, 289, 1093-1108. 

Mixing Fields , a Demand Towards a more Knowledge-based Approach -Room for Micro Mixers ... 

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