Visual and computational analysis of structure-activity relationships in high-throughput screening data

Novel analytic methods are required to assimilate the large volumes of structural and bioassay data generated by combinatorial chemistry and high-throughput screening programmes in the pharmaceutical and agrochemical industries. This paper reviews recent work in visualisation and data mining that can be used to develop structure-activity relationships from such chemical/biological datasets

Pemilihan kerjaya di kalangan pelajar aliran perdagangan sekolah menengah teknik : satu kajian kes

This research is a survey to determine the career chosen of form four student in commerce streams. The important aspect of the career chosen has been divided into three, first is information about career, type of career and factor that most influence students in choosing a career. The study was conducted at Sekolah Menengah Teknik Kajang, Selangor Darul Ehsan. Thirty six form four students was chosen by using non-random sampling purpose method as respondent. All information was gather by using questionnaire. Data collected has been analyzed in form of frequency, percentage and mean. Results are performed in table and graph. The finding show that information about career have been improved in students career chosen and mass media is the main factor influencing students in choosing their career

On the role of pre and post-processing in environmental data mining

The quality of discovered knowledge is highly depending on data quality. Unfortunately real data use to contain noise, uncertainty, errors, redundancies or even irrelevant information. The more complex is the reality to be analyzed, the higher the risk of getting low quality data. Knowledge Discovery from Databases (KDD) offers a global framework to prepare data in the right form to perform correct analyses. On the other hand, the quality of decisions taken upon KDD results, depend not only on the quality of the results themselves, but on the capacity of the system to communicate those results in an understandable form. Environmental systems are particularly complex and environmental users particularly require clarity in their results. In this paper some details about how this can be achieved are provided. The role of the pre and post processing in the whole process of Knowledge Discovery in environmental systems is discussed

DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences

Identification of drug-target interactions (DTIs) plays a key role in drug discovery. The high cost and labor-intensive nature of in vitro and in vivo experiments have highlighted the importance of in silico-based DTI prediction approaches. In several computational models, conventional protein descriptors are shown to be not informative enough to predict accurate DTIs. Thus, in this study, we employ a convolutional neural network (CNN) on raw protein sequences to capture local residue patterns participating in DTIs. With CNN on protein sequences, our model performs better than previous protein descriptor-based models. In addition, our model performs better than the previous deep learning model for massive prediction of DTIs. By examining the pooled convolution results, we found that our model can detect binding sites of proteins for DTIs. In conclusion, our prediction model for detecting local residue patterns of target proteins successfully enriches the protein features of a raw protein sequence, yielding better prediction results than previous approaches.Comment: 26 pages, 7 figure

Adapted K-Nearest Neighbors for Detecting Anomalies on Spatio–Temporal Traffic Flow

Outlier detection is an extensive research area, which has been intensively studied in several domains such as biological sciences, medical diagnosis, surveillance, and traffic anomaly detection. This paper explores advances in the outlier detection area by finding anomalies in spatio-temporal urban traffic flow. It proposes a new approach by considering the distribution of the flows in a given time interval. The flow distribution probability (FDP) databases are first constructed from the traffic flows by considering both spatial and temporal information. The outlier detection mechanism is then applied to the coming flow distribution probabilities, the inliers are stored to enrich the FDP databases, while the outliers are excluded from the FDP databases. Moreover, a k-nearest neighbor for distance-based outlier detection is investigated and adopted for FDP outlier detection. To validate the proposed framework, real data from Odense traffic flow case are evaluated at ten locations. The results reveal that the proposed framework is able to detect the real distribution of flow outliers. Another experiment has been carried out on Beijing data, the results show that our approach outperforms the baseline algorithms for high-urban traffic flow