Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis

This paper reviews the work of the Chemoinformatics Research Group in the Department of Information Studies at the University of Sheffield, focusing particularly on the work carried out in the period 1985-2002. Four major research areas are discussed, these involving the development of methods for: substructure searching in databases of three-dimensional structures, including both rigid and flexible molecules; the representation and searching of the Markush structures that occur in chemical patents; similarity searching in databases of both two-dimensional and three-dimensional structures; and compound selection and the design of combinatorial libraries. An analysis of citations to 321 publications from the Group shows that it attracted a total of 3725 residual citations during the period 1980-2002. These citations appeared in 411 different journals, and involved 910 different citing organizations from 54 different countries, thus demonstrating the widespread impact of the Group's work

Towards Automatic SAR-Optical Stereogrammetry over Urban Areas using Very High Resolution Imagery

In this paper we discuss the potential and challenges regarding SAR-optical stereogrammetry for urban areas, using very-high-resolution (VHR) remote sensing imagery. Since we do this mainly from a geometrical point of view, we first analyze the height reconstruction accuracy to be expected for different stereogrammetric configurations. Then, we propose a strategy for simultaneous tie point matching and 3D reconstruction, which exploits an epipolar-like search window constraint. To drive the matching and ensure some robustness, we combine different established handcrafted similarity measures. For the experiments, we use real test data acquired by the Worldview-2, TerraSAR-X and MEMPHIS sensors. Our results show that SAR-optical stereogrammetry using VHR imagery is generally feasible with 3D positioning accuracies in the meter-domain, although the matching of these strongly hetereogeneous multi-sensor data remains very challenging. Keywords: Synthetic Aperture Radar (SAR), optical images, remote sensing, data fusion, stereogrammetr

Enhancing the effectiveness of ligand-based virtual screening using data fusion

Data fusion is being increasingly used to combine the outputs of different types of sensor. This paper reviews the application of the approach to ligand-based virtual screening, where the sensors to be combined are functions that score molecules in a database on their likelihood of exhibiting some required biological activity. Much of the literature to date involves the combination of multiple similarity searches, although there is also increasing interest in the combination of multiple machine learning techniques. Both approaches are reviewed here, focusing on the extent to which fusion can improve the effectiveness of searching when compared with a single screening mechanism, and on the reasons that have been suggested for the observed performance enhancement

3D Shape Classification and Retrieval Using Heterogenous Features and Supervised Learning

Content-based 3D model retrieval (CB3DMR) aims at augmenting the text-based search with the ability to search 3D data collections by using examples, sketches, as well as geometric and structural features..

Hand gesture recognition with jointly calibrated Leap Motion and depth sensor

Novel 3D acquisition devices like depth cameras and the Leap Motion have recently reached the market. Depth cameras allow to obtain a complete 3D description of the framed scene while the Leap Motion sensor is a device explicitly targeted for hand gesture recognition and provides only a limited set of relevant points. This paper shows how to jointly exploit the two types of sensors for accurate gesture recognition. An ad-hoc solution for the joint calibration of the two devices is firstly presented. Then a set of novel feature descriptors is introduced both for the Leap Motion and for depth data. Various schemes based on the distances of the hand samples from the centroid, on the curvature of the hand contour and on the convex hull of the hand shape are employed and the use of Leap Motion data to aid feature extraction is also considered. The proposed feature sets are fed to two different classifiers, one based on multi-class SVMs and one exploiting Random Forests. Different feature selection algorithms have also been tested in order to reduce the complexity of the approach. Experimental results show that a very high accuracy can be obtained from the proposed method. The current implementation is also able to run in real-time