Software and database for detecting risks for reactive metabolite formation
SpotRM collects the world’s most comprehensive knowledge about mechanisms of formation of reactive metabolites in a format that allows quick access to the original literature. The basis of our selection of structural alerts (SA) was reviewed in Claesson & Minidis, Chem. Res. Toxicol. 2018. The Scope page provides more on this.
Access to SpotRM is via the Web-App, an API, or, upon discussion, the database itself for in-house integration. Data are also available via a plug-in for StarDrop from Optibrium. Academics may apply for free access.
- Identification of potential hazards in your structure(s) using a carefully designed set of structural alerts.
- Real drug/compound examples (335+) illustrate the links between SAs and adverse drug effects.
- Background is explained in concise summaries (Monographs) that are extensively cross-linked.
- Large selection of links to web-based information, such as literature references, LiverTox db, DailyMed, and more.
- Several micro-reviews that put most common RM mechanisms into context.
- Whenever possible, guidance to avoid or replace the particular SA is given.
The most prominent feature of SpotRM is the wealth of information linked to each alert. SpotRM is not a computational tool (no models) but collects the key knowledge for your informed decisions.
- Drawing a compound in a sketching form.
- Importing of multi-mol files in SMILES, InChI and SDF formats.
- Text search on drug names and indications (see HELP).
- An API for external access to the database enabling integration into your automated workflows.
Below is a brief outline of some basic search and display functionalities of SpotRM.
Analyzing a query STRUCTURE results in highlighting of any SMARTS matches. Example drugs, which contain a particular structural alert, are listed (for meaning of the colour scheme go to Scope). Each listed drug is linked to more information, most often a Monograph that gives condensed information about what is known about reactive metabolite formation associated with the particular drug.
Picture of TEXT search output further down.