— Version 1.3 was released in July 2018. —

reactive metabolites

Decision support to avoid test substances with potential reactive metabolite problems 

SpotRM+ supports your decisions of new drug structures. Running locally on your PC using the free Bioclipse platform, SpotRM+ highlights potential hazards by matching your structure with a set of carefully selected structural alerts (SA). The basis of our selection is reviewed in a Perspective paper: A. Claesson & A. Minidis, Chem. Res. Toxicol. 2018.

For larger companies we encourage the purchase of the underlying database for incorporation in your own cheminformatic system – excellent for screening of substance libraries when you also wish to modify the available selection of SAs.

Want to try SpotRM+ for free? Send a request to info@awametox.com and you can have a trial period for up to 60 days. Academics can use the full version for free, see licensing tab

KEY FEATURES

  • Real drug examples (300+) illustrate the links between SAs and adverse effects.
  • Background is explained in concise summaries that are extensively crosslinked.
  • Large selection of links to web-based information, such as literature references, LiverTox db, DailyMed, and more.
  • Micro-reviews that put most common RM mechanisms into context.

The most prominent feature of SpotRM+ is the wealth of information linked to each alert, some of which is bound to be new to you and may well be an eye-opener.

SpotRM+ is a plug-in to the Bioclipse platform, which also features a number of other plug-ins useful in drug design and ADMET work.

Below is a brief outline of some basic search and display functionalities via videos or a cheat-sheet.
(note: functions for keyword, substructure and similarity searches are not shown here).


SpotRM+

Basic Usage

Installation


Cheat-sheet overview

reactive metabolites

reactive metabolites