COMPARE algorithm

Pauli KD, Shoemaker RH, Hodes L et al. Display and analysis of patterns of differential activity of drugs against human tumor cell lines development of mean graph and COMPARE algorithm. J Aar/ Cancer Inst 1989 81 1088-1092. 

Pauli KD, Shoemaker RH, Hodes L, Monks A, Scudiero DA, Rubinstein L, Plowman J, Boyd MR (1989) Display and Analysis of Patterns of Differential Activity of Drugs Against Human Tumor Cell Lines Development of Mean Graph and COMPARE Algorithm. J Natl Cancer Inst 81 1088... 

In this research work, we compared the results obtained with the chemical reaction algorithm and an improved evolutionary method with fuzzy logic for combining PSO and GA as weU as a gravitational search algorithm (GSA). All algorithms have their specific parameter representation. In Table 6.2 the values for the initial parameters on the compared algorithms are presented. 

It is not easy to compare algorithms. However, although it is impossible to draw definitive conclusions concerning the efficiencies of algorithms fi-om only a few data sets, a few general comments can be made. First, for aU the algo-... 

To search for the forms of potentials we are considering here simple mechanical models. Two of them, namely cluster support algorithm (CSA) and plane support algorithm (PSA), were described in details in [6]. Providing the experiments with simulated and experimental data, it was shown that the iteration procedure yields the sweeping of the structures which are not volumetric-like or surface-like, correspondingly. While the number of required projections for the reconstruction is reduced by 10 -100 times, the quality of reconstruction estimated quantitatively remained quite comparative (sometimes even with less artefacts) with that result obtained by classic Computer Tomography (CT). 

These tests generate several Gigabytes of data that are fed into a historical database. Although most of the analysis is performed automatically, human interaction is still needed to compare current and past data. Data are stored on optical CD S s from which the historical data bank are retrieved during field inspections from a mobile unit. Each of these is equipped with a CD-jukebox linked to an analysis station. The jukebox can handle 100 CD s, enough to store all previously recorded data. A dedicated software pre-fetches the historical data and compares it on-line with the newly acquired NDT-data. It is based on fuzzy algorithms applied to signal features. 

In Table 1 the CPU time required by the two methods (LFV and SISM) for 1000 MD integration steps computed on an HP 735 workstation are compared for the same model system, a box of 50 water molecules, respectively. The computation cost per integration step is approximately the same for both methods so that th< syieed up of the SISM over the LFV algorithm is deter-... 

In this article, we briefly describe these symplectic methods, citing recent articles for most of the details of derivation and implementation. We compare the various algorithms in terms of theoretical and implementation aspects, as well as in simple numerical experiments. 

Since this approach maps all possible interactions to processors, no communication is required during force calculation. Moreover, the row assignments are completed before the first step of the simulation. The computation of the bounds for each processor require O(P ) time, which is very negligible compared to N (for N S> P). The communication required at the end of each step to update the position and velocity vectors is done by reducing force vectors of length N, and therefore scales as 0 N) per node per time step. Thus the overall complexity of this algorithm is. 

For database handling it is necessary to compare existing database entries with new ones. Consequently, database registration and retrieval are dependent on isomorphism algorithms which compare two graphs or structure diagrams to determine whether subgraphs are identical or not. 

Models developed with selected subsets of descriptors, instead of all possible descriptors, can be more accurate and robust. In order to select adequate descriptors for each of the four classes of protons, genetic algorithms (GA) were used, and the results were compared with those obtained when all the descriptors were used. 

Advanced users can also benefit from reading this guide. Many people use a lim ited n n mber of algorith m s an d methods for chem -ical calculation s. This book compares of the differen t meth ods in IlyperChem and helps you determine the most appropriate method for your research problems. The book discusses strengths and weaknesses of the methods and algorithms. 

An important though deman ding book. Topics include statistical mechanics, Monte Carlo sim illation s. et uilibrium and non -ec iiilibrium molecular dynamics, an aly sis of calculation al results, and applications of methods to problems in liquid dynamics. The authors also discuss and compare many algorithms used in force field simulations. Includes a microfiche containing dozens of Fortran-77 subroutines relevant to molecular dynamics and liquid simulations. 

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