Search results for "Software"

A Comparative Study of Nonlinear Machine Learning for the "In Silico" Depiction of Tyrosinase Inhibitory Activity from Molecular Structure.

2011

In the preset report, for the first time, support vector machine (SVM), artificial neural network (ANN), Baye- sian networks (BNs), k-nearest neighbor (k-NN) are applied and compared on two "in-house" datasets to describe the tyrosinase inhibitory activity from the molecular structure. The data set Data I is used for the identification of tyrosi- nase inhibitors (TIs) including 701 active and 728 inactive compounds. Data II consists of active chemicals for potency estimation of TIs. The 2D TOMOCOMD-CARDD atom-based quadratic indices are used as molecular descriptors. The de- rived models show rather encouraging results with the areas under the Receiver Operating Characteristic (AURC) curve …

Convolutional architectures for virtual screening

2020

Abstract Background A Virtual Screening algorithm has to adapt to the different stages of this process. Early screening needs to ensure that all bioactive compounds are ranked in the first positions despite of the number of false positives, while a second screening round is aimed at increasing the prediction accuracy. Results A novel CNN architecture is presented to this aim, which predicts bioactivity of candidate compounds on CDK1 using a combination of molecular fingerprints as their vector representation, and has been trained suitably to achieve good results as regards both enrichment factor and accuracy in different screening modes (98.55% accuracy in active-only selection, and 98.88% …

In silicoAntibacterial Activity Modeling Based on the TOMOCOMD-CARDD Approach

2015

In the recent times, the race to cope with the increasing multidrug resistance of pathogenic bacteria has lost much of its momentum and health professionals are grasping for solutions to deal with the unprecedented resistance levels. As a result, there is an urgent need for a concerted effort towards the development of new antimicrobial drugs to stay ahead in the fight against the ever adapting bacteria. In the present report, antibacterial classification functions (models) based on the topological molecular computational design-computer aided >rational> drug design (TOMOCOMD-CARDD) atom-based non-stochastic and stochastic bilinear indices are presented. These models were built using the li…

Environment-Aware RSSI Based Positioning Algorithm for Random Angle Interference Cancellation in Visible Light Positioning System

2021

International audience; Visible Light Positioning (VLP) is considered to be one of the most promising candidates for future Location Based Service (LBSs). The traditional Received Signal Strength Indication (RSSI) based VLP system is highly sensitized with receiver's orientation. However, the assumption of the receiver's orientation fixed or perfectly known is not realistic in practice. Thus, a random angle between receiver and the horizontal plane inevitably appears among localization, which extremely affects positioning results. This paper proposed an Environment-Aware RSSI based positioning algorithm for VLP system. It enables to mainly eliminate random angle interference without the hel…

Cybertext Challenge

2007

This article discusses the changing role of literature in the contemporary media landscape. Literary scholarship may well maintain its importance in the digitalizing world, but this requires it to engage in an open dialogue with cultural and media studies. It is important that more attention is paid to contemporary literature as well as to new media offering significant pedagogical possibilities, which should be better acknowledged. The article's main focus is on the emerging field of digital literature. Cybertextuality, especially, is fundamentally changing our notions of the integrity of a literary work, reading, writing and interpretation. I attempt to describe and put into context one …

Dance moves reflect current affective state illustrative of approach–avoidance motivation.

2013

Design follows politics? The visualization of political orientation in newspaper page layout

2017

This article explores how the political orientation of newspapers is reflected in their page layout. The authors compare the layouts of five German national quality newspapers exemplarily and exploratively in a combination of quantitative and qualitative analyses. Dimensions of comparison are typography, size, colouration, quantity and arrangement of elements. Results show systematic differences between the page layouts of left-wing and right-wing newspapers. These differences are reflected in the contrast of traditional and contemporary styles and also in the use of ideologically charged typography and colours. In addition, the size of headlines seems to be dependent on political extremity…

Supporting Impact Analysis by Program Dependence Graph Based Forward Slicing

2007

Since software must evolve to meet the typically changing requirements, source code modifications can not be avoided. Impact analysis is one of the central and relatively demanding tasks of software maintenance. It is constantly needed while aiming at ensuring the correctness of the made modifications. Due to its importance and challenging nature automated support techniques are required. Theoretically, forward slicing is a very suitable technique for that purpose. Therefore, we have implemented a program dependence graph (PDG) based tool, called GRACE, for it. For example, due to the typical rewritings of Visual Basic programs there is a great need to support their impact analysis. However…

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…

Discovering the Discriminating Power in Patient Test Features Using Visual Analytics: A Case Study in Parkinson’s Disease

2016

Part 11: New Methods and Tools for Big Data Wokshop (MT4BD); International audience; This paper presents a novel methodology for selecting the most representative features for identifying the presence of the Parkinson’s Disease (PD). The proposed methodology is based on interactive visual analytic based on multi-objective optimisation. The implemented tool processes and visualises the information extracted via performing a typical line-tracking test using a tablet device. Such output information includes several modalities, such as position, velocity, dynamics, etc. Preliminary results depict that the implemented visual analytics technique has a very high potential in discriminating the PD …