lazar (lazy structure-activity relationships) is a modular framework for predictive toxicology. Similar to the read across procedure in toxicological risk assessment, lazar creates local QSAR (quantitative structure-activity relationship) models for each compound to be predicted. Model developers can choose between a large variety of algorithms for descriptor calculation and selection, chemical...

abstract. topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. graph theory is a delightful playground for the exploration of proof techniques in discrete mathematics and its results have applications in many areas of sciences. one of the us...

In this paper, we propose a new approach, called RoadGuard, for Highway Control and Management System. RoadGuard is based on counting and tracking moving vehicles robustly. Our system copes with some challenges related to such application processing steps like shadow, ghost and occlusion. A new algorithm is proposed to detect and remove cast shadow. The occlusion and ghost problems are resolved...

Selective S1P(1) receptor agonists have therapeutic potential to treat a variety of immune-mediated diseases. A series of 2-imino-thiazolidin-4-one derivatives displaying potent S1P(1) receptor agonistic activity were selected to establish 3D-QSAR models using CoMFA and CoMSIA methods. Internal and external cross-validation techniques were investigated as well as some measures including region ...

We describe a family of kernels over untyped and typed Prolog ground terms and show that they can be applied for learning in structured domains, presenting experimental results in a QSPR task.

The computer analysis of relations between molecular structures and their biological activity using fragmentbased methods is very useful to draw conclusions for the understanding of drug action and for the development of more efficient non-toxic drug candidates. We used the computer system SARD-21 (Structure Activity Relationship & Design) to investigate common structural features (fragments an...

The determination of the validity of a QSAR model when applied to new compounds is an important concern in the field of QSAR and QSPR modeling. Various scoring techniques can be applied to specific types of models. We present a technique with which we can state whether a new compound will be well predicted by a previously built QSAR model. In this study we focus on linear regression models only...

To further our understanding of creating and sustaining firm competitive advantage, we need to recognize two types of contextuality within firms’ activity systems. First, the benefit of activity configurations can be contextual—while some activity configurations are generically beneficial, others gain their value only as part of particular strategies. Second, interactions among activities can b...