PathBank 2.0-the pathway database for model organism metabolomics.

PathBank (https://pathbank.org) and its predecessor database, the Small Molecule Pathway Database (SMPDB), have been providing comprehensive metabolite pathway information for the metabolomics community since 2010. Over the past 14 years, these pathway databases have grown and evolved significantly to meet the needs of the metabolomics community and respond to continuing changes in computing technology. This year's update, PathBank 2.0, brings a number of important improvements and upgrades that should make the database more useful and more appealing to a larger cross-section of users. In particular, these improvements include: (i) a significant increase in the number of primary or canonical pathways (from 1720 to 6951); (ii) a massive increase in the total number of pathways (from 110 234 to 605 359); (iii) significant improvements to the quality of pathway diagrams and pathway descriptions; (iv) a strong emphasis on drug metabolism and drug mechanism pathways; (v) making most pathway images more slide-compatible and manuscript-compatible; (vi) adding tools to support better pathway filtering and selecting through a more complete pathway taxonomy; (vii) adding pathway analysis tools for visualizing and calculating pathway enrichment. Many other minor improvements and updates to the content, the interface and general performance of the PathBank website have also been made. Overall, we believe these upgrades and updates should greatly enhance PathBank's ease of use and its potential applications for interpreting metabolomics data.

DrugBank 6.0: the DrugBank Knowledgebase for 2024.

First released in 2006, DrugBank (https://go.drugbank.com) has grown to become the 'gold standard' knowledge resource for drug, drug-target and related pharmaceutical information. DrugBank is widely used across many diverse biomedical research and clinical applications, and averages more than 30 million views/year. Since its last update in 2018, we have been actively enhancing the quantity and quality of the drug data in this knowledgebase. In this latest release (DrugBank 6.0), the number of FDA approved drugs has grown from 2646 to 4563 (a 72% increase), the number of investigational drugs has grown from 3394 to 6231 (a 38% increase), the number of drug-drug interactions increased from 365 984 to 1 413 413 (a 300% increase), and the number of drug-food interactions expanded from 1195 to 2475 (a 200% increase). In addition to this notable expansion in database size, we have added thousands of new, colorful, richly annotated pathways depicting drug mechanisms and drug metabolism. Likewise, existing datasets have been significantly improved and expanded, by adding more information on drug indications, drug-drug interactions, drug-food interactions and many other relevant data types for 11 891 drugs. We have also added experimental and predicted MS/MS spectra, 1D/2D-NMR spectra, CCS (collision cross section), RT (retention time) and RI (retention index) data for 9464 of DrugBank's 11 710 small molecule drugs. These and other improvements should make DrugBank 6.0 even more useful to a much wider research audience ranging from medicinal chemists to metabolomics specialists to pharmacologists.

Piloting a smartphone-based application for tracking and supply chain management of medicines in Africa.

A confounding factor for healthcare programmes in African countries is the inability of essential health tools to reach targeted locations and populations, due to poor Logistics Management Information System (LMIS). In a bid to contribute towards addressing these challenges, a pilot study was undertaken to evaluate the tracking ability, reliability and applicability of EASE App, a novel Smart Phone based Application. The App is designed to provide real-time tracking and tracing of commodities as well as curation of data in a cloud based database with restricted access which can be linked with other databases. In this study, NIPRIMAL was labelled with QR codes, and tracked within the Federal Capital Territory, Abuja, Nigeria, using the smartphone based EASE App. Data collected showed that the "EASE App" tracking had accuracy of 100% for date and time of scan, operators' codes and product identity; and 92.83±1.69% and 99.83±0.27% accuracy for GPS mapping label for the city and country, respectively. The GPS mapping label for specific streets, roads or districts, gave an accuracy of about 64.28±3.14%. The technology was able to provide real-time data on user unique identity, user location as well as date/time of use, and the feedback report indicated that it was readily deployable and easy to use. The results demonstrate that the "EASE App" is a promising technology that can support supply chain and related data management challenges in resource poor settings. The potential benefit of the EASE App in strengthening LMIS and distribution chain system in Africa as well as future optimization of the App are discussed.