Methods scoring

One limitation of clique detection is that it needs to be run repeatedly with differei reference conformations and the run-time scales with the number of conformations pt molecule. The maximum likelihood method [Bamum et al. 1996] eliminates the need for reference conformation, effectively enabling every conformation of every molecule to a< as the reference. Despite this, the algorithm scales linearly with the number of conformatior per molecule, so enabling a larger number of conformations (up to a few hundred) to b handled. In addition, the method scores each of the possible pharmacophores based upo the extent to which it fits the set of input molecules and an estimate of its rarity. It is nc required that every molecule has to be able to match every feature for the pharmacophor to be considered. 

Reference Sampling Method Scoring Method DOF Resolution Runtime 7... 

Docking Program Docking/Sampling Method Scoring Method... 

Common methods of risk assessment include relative risk numerical scoring methods and numerical probabilistic methods. With relative methods, scores and weighting factors are assigned to various risk factors and grouping of factors, based on system attributes, and an overall risk score is generated. The methods determine a score for likelihood of failure, the severity of the consequences of failure, and the... 

Hodes statistical-heuristic method scoring functions... 

Docking program Docking/sampling method Scoring method Use... 

Evaluation of Structural Alignment Method Scoring by Geometric Match Measures. 

Authors Program Site description Search method Scoring rmsd from xtl (A per atom) CPU time (est. min)... 

Method Ligand jfexibiUty sampling Scoring function... 

It is also possible to extend this concept to cover the presence of more than one distinct segm pair in a pair of sequences (for example, if there are three MSPs present with scores of 40, and 50 then one can calculate the probabOity of finding three pairs with at least a score of by chance). The ability of BLAST to provide a quantitative significance of any match fou is a particularly useful feature of the program, which, with its continuing development a availability, has made it the most widely used method for sequence database searching. 

Lcularly popular [Taylor and Orengo 1989], The method is so named because it uses two amic programming steps. In the first step, it is necessary to determine the score for each of residues, one from each structure. These scores are used to fill a rectangular H matrix, irich dynamic programming is applied to determine the optimal alignment. 

Charifson P S, J J Corkery, M A Murcko and W P Walters 1999. Consensus Scoring A Method fc Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures int Proteins. Journal of Medicinal Chemistry 42 5100-5109. 

Special techniques for experimentation with the actinide elements other than Th and U have been devised because of the potential health ha2ard to the experimenter and the small amounts available (15). In addition, iavestigations are frequently carried out with the substance present ia very low coaceatratioa as a radioactive tracer. Such procedures coatiaue to be used to some exteat with the heaviest actinide elements, where only a few score atoms may be available they were used ia the earHest work for all the transuranium elements. Tracer studies offer a method for obtaining knowledge of oxidation states, formation of complex ions, and the solubiHty of various compounds. These techniques are not appHcable to crystallography, metallurgy, and spectroscopic studies. 

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