— SpotRM is also available as a plug-in for StarDrop from Optibrium —
Unique support tool for avoiding test substances with potential toxicity from reactive metabolites
Go HERE to explore SpotRM. You will have full access to the system for one day and you can start your evaluation immediately (HELP). Or start by contacting us for a quick demo.
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) is 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 knowledge essential 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.
The result from TEXT search is a table. In this case the search phrase was “tinib”; here all drugs are Red; the monograph of dasatinib is shown to the right.