In several rule-based applications using graph transformation as underlying modeling technique the following questions arise: How can one be sure that a specific sequence of rules is applicable (resp. not applicable) on a given graph? Of course, it is possible to use a trial and error strategy to find out the answer to these questions. In this paper however, we will formulate suitable sufficien...

Insubria QSPR PaDEL-Descriptor model for Vapor Pressure prediction of Polybrominated Diphenyl Ethers. 1.2.Other related models: E. Papa, S. Kovarich, P. Gramatica, 2009, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers, QSAR & Comb.Sci. 28, 790-796. [9] 1.3.Software coding the model: [1]PaDEL-Descriptor 2.18 A ...

A recent editorial (Aldrich et al. The Ecstasy and Agony of Assay Interference Compounds . J. Chem. Inf. MODEL 2017 , 57 , 387 - 390 ) is examined critically. When assessing assay hits from screening, it is important to draw a distinction between false positives, that have no effect on target function, and compounds that affect target function through an undesirable mechanism of action. Obser...

lazar is a new tool for the prediction of toxic properties of chemical structures. It derives predictions for query structures from a database with experimentally determined toxicity data. lazar generates predictions by searching the database for compounds that are similar with respect to a given toxic activity and calculating the prediction from their activities. Apart form the prediction, laz...

This article contributes a highly accurate model for predicting the melting points (MPs) of medicinal chemistry compounds. The model was developed using the largest published data set, comprising more than 47k compounds. The distributions of MPs in drug-like and drug lead sets showed that >90% of molecules melt within [50,250]°C. The final model calculated an RMSE of less than 33 °C for molecul...

or breaks in the skin. Hispanic Americans may be more likely to reside in agrarian settings with increased exposure to soil and opportunities for contamination of cuts and other injuries. Whether caused by environmental factors, genetic predisposition, access to medical care, or other socioeconomic factors and pressures, the reasons for the higher incidence of BAE in Hispanic Americans warrant ...

In this paper we compare four notions of fair simulation direct delay game and exists Our comparison refers to three main aspects The time complexity of constructing the fair simulation the ability to use it for minimization and the relationship between the fair simulations and universal branching time logics We developed two practical applications that are based on this com parison The rst is ...

this paper examines the theoretical rationales and practical aspects of task-based language teaching (tblt) with particular reference to research findings in efl/esl contexts. the definitional scope of the term ‘task’, polarizations in terms of task vs. non-task, and its relation to different language teaching approaches have engendered conceptual and methodological ambiguities.  moreover, fact...

| In this paper we review previous work on the applicability and performance of Integrated Layer Processing (ILP). ILP has been shown to clearly improve performance when integrating simple functions, but the situation has been less clear for more complex functions and complete systems. We discuss complications when applying ILP to protocol stacks, the requirements of ILP on the communication su...

In this document, we describe the applicability of the IP Flow Information eXport (IPFIX) protocol for a variety of applications. We show how applications can use IPFIX, describe the relevant Information Elements (IEs) for those applications, and present opportunities and limitations of the protocol. Furthermore, we describe relations of the IPFIX framework to other architectures and frameworks...