Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation

2018 ◽  
Author(s):  
Robert M. Hanson ◽  
John Mayfield ◽  
Mikko J. Vainio ◽  
Andrey Yerin ◽  
Dmitry Redkin ◽  
...  
Keyword(s):  
Software Developers ◽  
Blue Book ◽  
Algorithmic Analysis ◽  
Definition Of ◽  
Additional Rule ◽  
2D And 3D ◽  
Recent Version ◽  
Concise Definition ◽  
Sequence Rules

<div> <div> <div> <p>The most recent version of the Cahn-Ingold-Prelog rules for the determination of stereodescriptors as described in Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013 (the “Blue Book”) were analyzed by an international team of cheminformatics software developers. Algorithms for machine implementation were designed, tested, and cross-validated. Deficiencies in Sequence Rules 1b and 2 were found, and proposed language for their modification is presented. A concise definition of an additional rule (“Rule 6,” below) is proposed, which succinctly covers several cases only tangentially mentioned in the 2013 recommendations. Each rule is discussed from the perspective of machine implementation. The four resultant implementations are supported by validation suites in 2D and 3D SDF format as well as SMILES. The validation suites include all significant examples in Chapter 9 of the Blue Book, as well as several additional structures that highlight more complex aspects of the rules not addressed or not clearly analyzed in that work. These additional structures support a case for the need for modifications of the Sequence Rules. </p> </div> </div> </div>

Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation

2018 ◽  
Author(s):  
Robert M. Hanson ◽  
John Mayfield ◽  
Mikko J. Vainio ◽  
Andrey Yerin ◽  
Dmitry Redkin ◽  
...  
Keyword(s):  
Software Developers ◽  
Blue Book ◽  
Algorithmic Analysis ◽  
Definition Of ◽  
Additional Rule ◽  
2D And 3D ◽  
Recent Version ◽  
Concise Definition ◽  
Sequence Rules

<div> <div> <div> <p>The most recent version of the Cahn-Ingold-Prelog rules for the determination of stereodescriptors as described in Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013 (the “Blue Book”) were analyzed by an international team of cheminformatics software developers. Algorithms for machine implementation were designed, tested, and cross-validated. Deficiencies in Sequence Rules 1b and 2 were found, and proposed language for their modification is presented. A concise definition of an additional rule (“Rule 6,” below) is proposed, which succinctly covers several cases only tangentially mentioned in the 2013 recommendations. Each rule is discussed from the perspective of machine implementation. The four resultant implementations are supported by validation suites in 2D and 3D SDF format as well as SMILES. The validation suites include all significant examples in Chapter 9 of the Blue Book, as well as several additional structures that highlight more complex aspects of the rules not addressed or not clearly analyzed in that work. These additional structures support a case for the need for modifications of the Sequence Rules. </p> </div> </div> </div>

State Failure and the Political Violence Phenomenon: A Comparative Analysis of Iraq and Syria Cases

2016 ◽  
Vol 4 (2) ◽  
pp. 170 ◽  
Author(s):  
K. Eylem Özkaya Lassalle
Keyword(s):  
Cold War ◽  
Political Violence ◽  
State Failure ◽  
The Political ◽  
Collective Violence ◽  
Short Run ◽  
Definition Of ◽  
The Cold War

The concept of failed state came to the fore with the end of the Cold War, the collapse of the USSR and the disintegration of Yugoslavia. Political violence is central in these discussions on the definition of the concept or the determination of its dimensions (indicators). Specifically, the level of political violence, the type of political violence and intensity of political violence has been broached in the literature. An effective classification of political violence can lead us to a better understanding of state failure phenomenon. By using Tilly’s classification of collective violence which is based on extent of coordination among violent actors and salience of short-run damage, the role played by political violence in state failure can be understood clearly. In order to do this, two recent cases, Iraq and Syria will be examined.

DEFINITION OF TIME SPENT ON REPAIR OF BUS TRANSMISSION UNITS TAKING INTO ACCOUNT TECHNOLOGICAL EQUIPMENT RELIABILITY

2020 ◽  
Vol 2020 (9) ◽  
pp. 29-33
Author(s):  
Sergey Bulatov
Keyword(s):  
Negative Impact ◽  
Probabilistic Method ◽  
Technological Equipment ◽  
Quality And Safety ◽  
Transmission Unit ◽  
Equipment Reliability ◽  
Hours Of Work ◽  
Definition Of ◽  
Time Decrease

The paper purpose is the effectiveness estimation in the technological equipment use, taking into account its reliability and productivity for defective transmission units of buses. The problem consists in the determination of time to be spent on repair of bus transmission units taking into account technological equipment reliability. In the paper there is used a probabilistic method for the prediction bus transmission units, and also a method of the dynamics of averages which allow ensuring minimum of costs for units downtime during repair and equipment cost. The need for repair of transmission units (gear box) arises on an average after 650 hours, the average productivity of the bench makes 4.2 bus / hour. The bench fails on the average after 4600 hours of work, the average time of the bench makes 2 hours. In such a way the solution of the problem specified allows analyzing the necessity of time decrease for transmission unit repair to avoid long downtimes of buses in repair areas without negative impact upon high repair quality and safety during the further operation.

Tests of jackhammers (formation of bench techniques)

2020 ◽  
pp. 28-32
Author(s):  
V.S. Vanaev
Keyword(s):  
Impact Energy ◽  
Bench Tests ◽  
Measuring Complex ◽  
Energy Indicators ◽  
Definition Of ◽  
Determination Of Parameters ◽  
Dynamic Indicators

Development of complex determination of parameters of jackhammers at bench tests is studied. The modern support of tests of jackhammers for the purpose of definition of their energy, vibration and noise indicators is considered. Descriptions of the SORP universal bench and UIPU measuring complex are given. Keywords jackhammer, bench, tests, processing object, energy indicators, impact energy, dynamic indicators [email protected]

Actual issues of valuation of businesses of the economic entity

2017 ◽  
Vol 31 (2) ◽  
pp. 156-162 ◽  
Author(s):  
O. V. Schneider
Keyword(s):  
Discount Rate ◽  
Accurate Prediction ◽  
Economic Activities ◽  
Business Valuation ◽  
Economic Entity ◽  
The World ◽  
Definition Of

The article summarizes the main approaches in the definition of business valuation the economic entity. In the process of business valuation, taking into account the risks of financial and economic activities necessary to obtain information on what stage the owner implements the business will receive income. The most difficult task is the impossibility of accurate prediction in determining the level of income and the determination of a discount rate capitalization of future incomes due to the instability of the economy, both in the country and around the world.

scholarly journals Betweenness centrality for temporal multiplexes

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Silvia Zaoli ◽  
Piero Mazzarisi ◽  
Fabrizio Lillo
Keyword(s):  
Information Flow ◽  
Real World ◽  
Betweenness Centrality ◽  
Temporal Structure ◽  
Shortest Paths ◽  
Single Layer ◽  
Distance Metric ◽  
Definition Of

AbstractBetweenness centrality quantifies the importance of a vertex for the information flow in a network. The standard betweenness centrality applies to static single-layer networks, but many real world networks are both dynamic and made of several layers. We propose a definition of betweenness centrality for temporal multiplexes. This definition accounts for the topological and temporal structure and for the duration of paths in the determination of the shortest paths. We propose an algorithm to compute the new metric using a mapping to a static graph. We apply the metric to a dataset of $$\sim 20$$ ∼ 20 k European flights and compare the results with those obtained with static or single-layer metrics. The differences in the airports rankings highlight the importance of considering the temporal multiplex structure and an appropriate distance metric.

Cathodoluminescence of SiO2/Si System

2009 ◽  
Vol 156-158 ◽  
pp. 487-492 ◽  
Author(s):  
M.V. Zamoryanskaya
Keyword(s):  
Activation Energy ◽  
Electron Beam ◽  
Rise Time ◽  
Silicon Oxide ◽  
Beam Current ◽  
Electron Beam Current ◽  
Electron Traps ◽  
Definition Of ◽  
Luminescent Centers

In this paper the new method for determination of luminescent centers concentration are discussed. While the possibility of electron traps determination and definition of its activation energy are suggested. The cathodoluminescent (CL) method was used. The determination of luminescent centers concentration in silicon oxide is based on the measurements of dependences of CL intensity on electron beam current. The presence and energy of activation of electron traps were studied by measurement of rise time and decay of luminescent band during the stationary irradiation of silica by electron beam.

Systemic Lupus Erythematosus Disease Activity Index 2000 Responder Index-50 Enhances the Ability of SLE Responder Index to Identify Responders in Clinical Trials

2011 ◽  
Vol 38 (11) ◽  
pp. 2395-2399 ◽  
Author(s):  
ZAHI TOUMA ◽  
DAFNA D. GLADMAN ◽  
DOMINIQUE IBAÑEZ ◽  
SHAHRZAD TAGHAVI-ZADEH ◽  
MURRAY B. UROWITZ
Keyword(s):  
Systemic Lupus Erythematosus ◽  
Clinical Trials ◽  
Disease Activity ◽  
Lupus Erythematosus ◽  
Activity Index ◽  
Disease Activity Index ◽  
Systemic Lupus ◽  
Original Definition ◽  
Definition Of

Objective.To evaluate the performance of the Systemic Lupus Erythematosus (SLE) Responder Index (SRI) when the SLE Disease Activity Index 2000 (SLEDAI-2K) is substituted with SLEDAI-2K Responder Index-50 (SRI-50), a valid and reliable index of disease activity improvement. Also, to determine whether the SRI-50 will enhance the ability of SRI in detecting responders.Methods.Our study was conducted on patients who attended the Lupus Clinic from September 2009 to September 2010. SLEDAI-2K, SRI-50, the British Isles Lupus Assessment Group measure, and the Physician’s Global Assessment were determined initially and at followup. SRI was determined at the followup visit according to its original definition using the SLEDAI-2K score and by substituting SLEDAI-2K with SRI-50.Results.A total of 117 patients with SLEDAI-2K ≥ 4 at baseline were studied. Patients had 1 followup visit over a 3-month period. Twenty-nine percent of patients met the original definition of SRI and 35% of patients met the definition of SRI when SLEDAI-2K was substituted with SRI-50. The use of SRI-50 allowed determination of significant improvement in 7 additional patients. This improvement could not be discerned with the use of SLEDAI-2K as a component of SRI. At followup visits that showed improvement, SRI-50 scores decreased to a greater extent than SLEDAI-2K scores (p < 0.0001).Conclusion.SRI-50 enhances the ability of SRI to identify patients with clinically important improvement in disease activity. SRI-50 was superior to SLEDAI-2K in detecting partial clinical improvement, ≥ 50%, between visits. These properties of the SRI-50 enable it to be used as an independent outcome measure of improvement or as a component of SRI in clinical trials.

Institutions, Models of Capitalism and Inequality in Income Distribution: An Empirical Investigation

2017 ◽  
Vol 17 (3) ◽  
pp. 651-685 ◽  
Author(s):  
Gilberto Antonelli ◽  
Pinuccia P Calia ◽  
Giovanni Guidetti
Keyword(s):  
Income Inequality ◽  
Income Distribution ◽  
Empirical Investigation ◽  
Econometric Evidence ◽  
Definition Of ◽  
The Empirical Analysis ◽  
Statistical Indicators ◽  
Different Levels

Abstract The article analyses the role of institutions in the determination of income inequality in a sample of OECD countries. Basing on the seminal approach by Amable, the article discusses the theoretical definition of model of capitalism. The basic idea is that each model of capitalism is defined by the cobweb of complementary relationships established among different institutions. Using a set of statistical indicators of the operation of institutions in two different years, 1995 and 2010, the empirical analysis points out five models of capitalism and exhibits how their composition has changed in this lapse of 15 years. In the following sections of the article, we investigate the role played by the model of capitalism in the determination of income distribution, measured through a standard Gini index. After controlling for a set of variables, the econometric evidence shows that different models of capitalism present significantly different levels of income inequality.

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