Search results for "aid"

"Urheilu yhdistää kansat" : Urho Kekkonen Suomen ja Viron urheilusuhteiden rakentajana

2015

Improving structural similarity based virtual screening using background knowledge

2013

Background Virtual screening in the form of similarity rankings is often applied in the early drug discovery process to rank and prioritize compounds from a database. This similarity ranking can be achieved with structural similarity measures. However, their general nature can lead to insufficient performance in some application cases. In this paper, we provide a link between ranking-based virtual screening and fragment-based data mining methods. The inclusion of binding-relevant background knowledge into a structural similarity measure improves the quality of the similarity rankings. This background knowledge in the form of binding relevant substructures can either be derived by hand selec…

Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear dis…

2009

Herein we present results of a quantitative structure-activity relationship (QSAR) studies to classify and design, in a rational way, new antitrypanosomal compounds by using non-stochastic and stochastic bond-based quadratic indices. A data set of 440 organic chemicals, 143 with antitrypanosomal activity and 297 having other clinical uses, is used to develop QSAR models based on linear discriminant analysis (LDA). Non-stochastic model correctly classifies more than 93% and 95% of chemicals in both training and external prediction groups, respectively. On the other hand, the stochastic model shows an accuracy of about the 87% for both series. As an experiment of virtual lead generation, the …

Reversing arrows: Duality

2021

What do you get reversing all arrows? The drawing ‘Duality’ is an homage to mirrors, classical art themes, and abstract mathematics.I’m looking for beauty in the arts and beauty in science. It’s a ...

A comic page for the first isomorphism theorem

2022

Given a homomorphism between algebras, there exists an isomorphism between the quotient of the domain by its kernel and the subalgebra in the codomain given by its image. This theorem, commonly known as the first isomorphism theorem, is a fundamental algebraic result. Different problems have been identified in its instruction, mainly related to the abstraction inherent to its content and to the lack of conceptual models to improve its understanding. In response to this situation, in this paper, we present an illustration that explores the narrative and graphical resources of comics with the aim of describing the set-theoretic elements that are involved in the proof of this theorem.

Henri Lefebvre’s lessons from the Bauhaus

2021

Throughout his writings, Henri Lefebvre made sporadic observations on the German art, design, and architecture school Bauhaus. His commentary on the Bauhaus can be read in light of his wider criticism of Modernist architecture and its political project. Despite its revolutionary aspirations, the Bauhaus provided ‘the architectural requirements of state capitalism’. This article argues that looking at Lefebvre’s ambiguous reading of the Bauhaus unveils the more complex trajectory of his thinking on Modernist utopian impulses to change society through design. Alongside his criticism of the Bauhaus as tailor made for what Lefebvre calls the neocapitalist state, his work also includes more posi…

Making Space for Creativity : Niche Construction and the Artist’s Studio

2022

Abstract It is increasingly acknowledged that creativity cannot be fully understood without considering the setting where it takes place. Building on this premise, we use the concepts of niche construction, scaffolding, coupling, and functional integration to expound on the environmentally situated nature of painters’ studio work. Our analysis shows studios to be multi-resource niches that are customized by artists to support various capacities, states, and actions crucial to painting. When at work in these personalized spaces, painters do not need to rely solely on their “inner” powers of imagination, memory, decision making, and technique to execute their paintings. Instead, with the help…

Visualizing Confidence in Cluster-based Ensemble Weather Forecast Analyses

2020

In meteorology, cluster analysis is frequently used to determine representative trends in ensemble weather predictions in a selected spatio-temporal region, e.g., to reduce a set of ensemble members to simplify and improve their analysis. Identified clusters (i.e., groups of similar members), however, can be very sensitive to small changes of the selected region, so that clustering results can be misleading and bias subsequent analyses. In this article, we — a team of visualization scientists and meteorologists-deliver visual analytics solutions to analyze the sensitivity of clustering results with respect to changes of a selected region. We propose an interactive visual interface that enab…

CheS-Mapper 2.0 for visual validation of (Q)SAR models

2014

Abstract Background Sound statistical validation is important to evaluate and compare the overall performance of (Q)SAR models. However, classical validation does not support the user in better understanding the properties of the model or the underlying data. Even though, a number of visualization tools for analyzing (Q)SAR information in small molecule datasets exist, integrated visualization methods that allow the investigation of model validation results are still lacking. Results We propose visual validation, as an approach for the graphical inspection of (Q)SAR model validation results. The approach applies the 3D viewer CheS-Mapper, an open-source application for the exploration of sm…

Development of pre-academic skills and motivation in kindergarten : a subgroup analysis between classroom quality profiles

2017

AbstractThe present study extends research on classroom quality profiles by examining the differences between profiles with respect to children’s development in pre-academic skills and motivation across the kindergarten year. Teacher–child interactions were observed in 49 Finnish kindergarten classrooms using the CLASS Pre-K instrument. Based on prior identification of latent profiles of classroom quality, subgroup analyses on children’s data were carried out on three profiles representing high Emotional Support and Classroom Organisation and intermediate Instructional Support (Profile 1), higher-intermediate Emotional Support and Classroom Organisation and lower-intermediate Instructional …