This paper establishes new relationships between existing qualitative spatial and temporal representations. Qualitative spatial and temporal representation (QSTR) is concerned with abstractions of infinite spatial and temporal domains, which represent configurations of objects using a finite vocabulary of relations, also called a qualitative calculus. Classically, reasoning in QSTR is based on ...

In this article, a Quantitative structure Toxicity Relationships (QSTR) of twenty five phenol derivatives is presented. The QSTR study is mainly based on topological parameter. The topological parameter has been evaluated by CAChe prosoftware. The calculations of topological parameters have been done by MOPAC 2007. The statistical parameter has been calculated by SSP software. Various QSTR mode...

Many application domains make extensive use of spatial and temporal information. However, the numerical approaches employed by most software tools have limitations, particularly when information is vague or incomplete. To address this, alternative qualitative spatial and temporal reasoning (QSTR) methods have been developed, yet few applications have made significant use of these techniques. In...

Objective: Nitroaromatic compounds are important industrial chemicals widely used in the synthesis of many diverse products including drugs, dyes, polymers, pesticides and explosives. However, the mutagenicity associated with nitroaromatic compounds is a toxicological feature which poses great concern. On the other hand, there are successful examples of non-mutagenic nitroaromatic molecules; in...

The dynamics of the earth and its inhabitants have become a core topic and focus in research in the spatial sciences. The spatio-temporal data avalanche challenges researchers to provide efficient and effective means to process spatio-temporal data. It is of vital importance to develop mechanisms that allow for the transition of data not only into information but also into knowledge. Knowledge ...

Constraint networks in qualitative spatial and temporal reasoning (QSTR) typically feature variables defined on infinite domains. Mainstream algorithms for deciding network consistency are based on searching for network refinements whose consistency is known to be tractable, either directly or by using a SAT solver. Consequently, these algorithms treat all networks effectively as complete graph...

Predictive quantitative structure-toxicity and toxicophore models were developed for a diverse series of hERG K+ channel blockers, acting as anti-arrhythmic agents using QSAR+ module in Cerius2 and HypoGen module in Catalyst software, respectively. The 2D-QSTR analysis has been performed on a dataset of 68 molecules carefully selected from literature for which IC50 values measured on hERG K+ ch...

This work describes a novel approach based on advanced molecular similarity to predict the sweetness of chemicals. The proposed Quantitative Structure-Taste Relationship (QSTR) model is an expert system developed keeping in mind the five principles defined by the Organization for Economic Co-operation and Development (OECD) for the validation of (Q)SARs. The 649 sweet and non-sweet molecules we...

Dealing with spatial and temporal knowledge is an indispensable part of almost all aspects of human activity. The qualitative approach to spatial and temporal reasoning, known as Qualitative Spatial and Temporal Reasoning (QSTR), typically represents spatial/temporal knowledge in terms of qualitative relations (e.g., to the east of, after), and reasons with spatial/temporal knowledge by solving...