VERA Virtual-Extensive-Read-Across is a new open-access software for chemical read-across.
Within the EC-funded LIFE project CONCERT REACH, the new open-access software for chemical read-across VERA has been developed. Read-across applies the principle of similarity to identify the most similar substances to represent a given target substance in data-poor situations. However, differences between the target and the source substances exist. VERA (Virtual Extensive Read-Across) provides a means to assess the similarity between chemicals using structural alerts specific to the property, pre-defined molecular groups and structural similarity. The software finds the most similar compounds with a certain feature e.g. structural alerts and molecular groups and provides clusters of similar substances while comparing these similar substances within different clusters.
VERA is a JAVA application that works on every operating system (Windows/Linux/Mac) supporting Java. Java 15 or higher is required. You can download OpenJDK installers from https://jdk.java.net/ or follow the instructions available on the OpenJDK website .
Download and unpack the zipped file. To start the application, just move to the unzipped folder and run the file Vera-GUI.jar with the Java Runtime Environment (JRE). On most systems, it is enough to double-click it. If you are not able to directly run it , open a command line window (like Command Prompt on Windows systems or BASH shell on Linux), move to the folder and type:
java -jar Vera-GUI.jar
If you are using a Windows system you can run the application simply using the starter.bat launcher, which uses a local distribution of Java included in the folder and indeed does not require a specific installation of Java on your machine.
VERA GUI, an stand-alone application
Load the file
Choose the endpoint
Summary of the input molecule
Information about the Structural Alerts and Molecular groups
A focus on the toxic/non toxic prevalence of SAs and MGs