Adverse events caused by drug-drug interaction (DDI) not only pose a serious threat to health, but also increase additional medical care expenditure. However, despite the emergence of many excellent text mining-based DDI classification methods, achie...
The SAR Matrix (SARM) approach was originally conceived for the systematic identification of analog series, their structural organization, and graphical structure-activity relationship (SAR) analysis. For structurally related series, SARMs also produ...
BMC medical informatics and decision making
Apr 15, 2020
BACKGROUND: Drug label, or packaging insert play a significant role in all the operations from production through drug distribution channels to the end consumer. Image of the label also called Display Panel or label could be used to identify illegal,...
Epoxidation is one of the reactions in drug metabolism. Since epoxide metabolites would bind with proteins or DNA covalently, drugs should avoid epoxidation metabolism in the body. Due to the instability of epoxide, it is difficult to determine epoxi...
The discovery of targeted drugs heavily relies on three-dimensional (3D) structures of target proteins. When the 3D structure of a protein target is unknown, it is very difficult to design its corresponding targeted drugs. Although the 3D structures ...
The advent of computational methods for efficient prediction of the druglikeness of small molecules and their ever-burgeoning applications in the fields of medicinal chemistry and drug industries have been a profound scientific development, since onl...
BMC medical informatics and decision making
Mar 18, 2020
BACKGROUND: The key to modern drug discovery is to find, identify and prepare drug molecular targets. However, due to the influence of throughput, precision and cost, traditional experimental methods are difficult to be widely used to infer these pot...
Journal of chemical information and modeling
Mar 13, 2020
Drug research and development is a time-consuming and high-cost task, pressing an urgent demand to identify novel indications of approved drugs, referred to as drug repositioning, which provides an economical and efficient way for drug discovery. Wit...
IEEE journal of biomedical and health informatics
Feb 28, 2020
Research on quantitative structure-activity relationships (QSAR) provides an effective approach to determine new hits and promising lead compounds during drug discovery. In the past decades, various works have gained good performance for QSAR with th...
Drug-Target interaction (DTI) plays a crucial role in drug discovery, drug repositioning and understanding the drug side effects which helps to identify new therapeutic profiles for various diseases. However, the exponential growth in the genomic and...