Data Mining Classification Methods Applied in Drug Design

Data mining incorporates a group of statistical methods used to analyze a set of information, or a data set. It operates with models and algorithms, which are powerful tools with the great potential. They can help people to understand the patterns in certain chunk of information so it is obvious that the data mining tools have a wide area of applications. For example in the theoretical chemistry data mining tools can be used to predict moleculeproperties or improve computer-assisted drug design. Classification analysis is one of the major data mining methodologies. The aim of thecontribution is to create a classification model, which would be able to deal with a huge data set with high accuracy. For this purpose logistic regression, Bayesian logistic regression and random forest models were built using R software. TheBayesian logistic regression in Latent GOLD software was created as well. These classification methods belong to supervised learning methods. It was necessary to reduce data matrix dimension before construct models and thus the factor analysis (FA) was used. Those models were applied to predict the biological activity of molecules, potential new drug candidates.

Investigation of Water Deficit Stress on Agronomical Traits of Soybean Cultivars in Temperate Climate

In order to investigate water deficit stress on 24 of soybean (Glycine Max. L) cultivars and lines in temperate climate, an experiment was conducted in Iran Seed and Plant Improvement Institute. Stress levels were irrigation after evaporation of 50, 100, 150 mm water from pan, class A. Randomized Completely Block Design was arranged for each stress levels. Some traits such as, node number, plant height, pod number per area, grain number per pod, grain number per area, 1000 grains weight, grain yield and harvest index were measured. Results showed that water deficit stress had significant effect on node number, plant height, pod number per area, grain number per pod, grain number per area, 1000 grains weight and harvest index. Also all of agronomic traits except harvest index influenced significantly by cultivars and lines. The least and most grain yield was belonged to Ronak X Williams and M41 x Clark respectively.

An Improved Construction Method for MIHCs on Cycle Composition Networks

Many well-known interconnection networks, such as kary n-cubes, recursive circulant graphs, generalized recursive circulant graphs, circulant graphs and so on, are shown to belong to the family of cycle composition networks. Recently, various studies about mutually independent hamiltonian cycles, abbreviated as MIHC-s, on interconnection networks are published. In this paper, using an improved construction method, we obtain MIHC-s on cycle composition networks with a much weaker condition than the known result. In fact, we established the existence of MIHC-s in the cycle composition networks and the result is optimal in the sense that the number of MIHC-s we constructed is maximal.

Induced Acyclic Path Decomposition in Graphs

A decomposition of a graph G is a collection ψ of graphs H1,H2, . . . , Hr of G such that every edge of G belongs to exactly one Hi. If each Hi is either an induced path in G, then ψ is called an induced acyclic path decomposition of G and if each Hi is a (induced) cycle in G then ψ is called a (induced) cycle decomposition of G. The minimum cardinality of an induced acyclic path decomposition of G is called the induced acyclic path decomposition number of G and is denoted by ¤Çia(G). Similarly the cyclic decomposition number ¤Çc(G) is defined. In this paper we begin an investigation of these parameters.