Logical-structural analysis

Some versions of the PRT used in the QSAR problems are based on the description of molecules by more physically grounded elements. These include methods of substructural analysis and logical-structural analysis. The former assumes that the activity under consideration is due to the presence of certain substructures in the molecule their relative contribution is estimated to be proportional to the number of active compounds containing the corresponding substructure. Some versions of this method are given in the literature, where statistical calculations of the substructure contributions and different classification procedures are given. 

Fault tree or equivalent analysis is key to PSA. Small logical structures may be evaluated by hand using the iciples of Chapter 2 but at some point computer support eeded. Even for simple structures, uncertainty analysis VIonte Carlo methods requires a computer. However, t of the codes are proprietary or a fee is charged for their... 

The chemical structure of the active drug molecules has to be related to their activity on all expressed genes, or gene products, within the body, whether that activity is viewed as a positive effect or one with drawbacks. Although in totality this is an exceptionally complex problem, it can be broken down into logical components for a more structured analysis. 

A METHOD OF ANALYSIS THAT DENIES LOGICAL STRUCTURE OF TEXTS ITS INTENT IS TO TEAR THE TEXT APART TO REVEAL ITS CONTRADICTIONS AND ASSUMPTIONS. 

Structural Analysis A logical initial choice for the rhombohedral space group is R3c (which is the highest symmetry rhombohedral sub-group of Fm3c). However, for ease of comparison, the face-centered rhombohedral space group R,3c is used with a ... 

Throughout, emphasis has been placed on the logical structure of the theory and on the need to correlate every analysis with experimental operating conditions and constraints. This is coupled with an attempt to remove the mystery that seems so often to surround the basic concepts in thermodynamics. 

Throughout, emphasis has been placed on the logical structure of the theory and on the need to correlate every analysis with experimental operating conditions and constraints. This is coupled with an attempt to remove the mystery that seems so often to surround the basic concepts in thermodynamics. Repeatedly, the attention of the reader is directed to the tremendous power inherent in the systematic development of the subject matter. Only the classical aspects of the problem are taken up no attempt has been made to introduce the statistical approach, since the subject matter of classical thermodynamics is self-consistent and complete, and rests on an independent basis. 

In the remainder of this review we focus on the mathematical analysis of the piecewise linear equations largely based on earlier studies [34-48]. In Section IV we show that the logical structure can be mapped onto a hypercube in N dimensions, where each vertex of the hypercube represents the state of each of the N variables, and the dynamics and logical structure in the network are represented as directed edges on the hypercube. 

An underlying motivation for our mathematical analysis is to answer the following questions Once the logical structure in Eq. (3) of a network is set, then what are the possible dynamics in the associated differential equation, Eq. (5), for any choice of parameters What are the dynamics for each particular set cf parameters We are only able to answer this question in some limited cases. 

Before we discuss a combination of GED with other techniques it is convenient to give a brief overview of the electron diffraction method itself. Therefore, in subsection A we describe the experimental equipment currently in use, followed by the basic equations of GED (B) and structure analysis (C). As a logical consequence. Section III describes the changes in running the GED experiment, while Section IV characterizes those modifications, which are used in a combined structure analysis. 

On the basis of this evidence alone it is logically possible that one isomer could be tetrahedral. Early coordination chemists, however, assumed that the directions of the "secondary valencies were fixed, which would preclude this possibility. X-ray structural analysis shows that, in the case of Pt complexes, they were correct. 

In the logical-structural approach, an attempt is made to include procedures that model the researcher s intentions. This is done by introducing some interactive (dialogue) regimes in the work of the researcher with the computer. Finn and co-workers created a computer version of the so-called verisimilar reasoning (in the style of J. C. Mell) worked out for automatic creation of hypotheses based on a cause effect analysis of nonnumerical data under the conditions of incomplete information. The purpose of verisimilar conclusions is to reveal similarities and distinctions in the structural graphs of different molecules in the series under consideration, and these similarities and distinctions should correlate with the molecular properties. 

---