Data Exploration

SARkush®

Automated SAR Analysis via Markush-like Structures

SARkush® aids structure activity relationship (SAR) analysis of compound datasets by automatically clustering compounds into Markush-like (SARkush) structures.

A module within the MCPairs platform.

The Challenge

Manual Markush Generation is Time-Consuming

SARkush® automatically clusters compounds into Markush-like cores and reports the breakdown of chemical groups around the structure.

How SARkush® Works

SARkush® in three steps

Input File

Submit a file with compounds and data.

Prepare Search

Submit job or refine settings further for pair finding and clustering.

Review Results

Automatically downloads results and displays them in a grid form with R-group decomposition.

Explore SARkush®

Powerful analysis at your fingertips

Automatically cluster compounds into Markush-like (SARkush) structures.

Remove the need for users to separate compounds into chemical series and cores.

Generate SARkush structure depictions and compound decomposition tables.

SARkush® – SAR Analysis via Markush-Like Structures

Why use SARkush®?

Key Benefits

Summarise Project Data

Automatically clusters compounds based on Matched Molecular Pair (MMP)-networks and generic-atom scaffolds, and generates Markush-like depictions and decomposition tables.

In-Depth Analysis

Speed up patent filing and reduce transcription errors. Analyse competitor patents.

Deeper Modelling

Use the output for further computational models (Free-Wilson, QSAR, etc.).

Desymmetrised Ring

Ensure similar R-groups are reported the same way to add clarity and consistency.

Web-based Access

Access SARkush® through MCPairs Online from any modern web browser—no software installation required.

Automatically clusters compounds based on Matched Molecular Pair (MMP)-networks and generic-atom scaffolds, and generates Markush-like depictions and decomposition tables.

Speed up patent filing and reduce transcription errors. Analyse competitor patents.

Use the output for further computational models (Free-Wilson, QSAR, etc.).

Ensure similar R-groups are reported the same way to add clarity and consistency.

Access SARkush® through MCPairs Online from any modern web browser—no software installation required.

See SARkush® in action

Book a demo and discover how SARkush® can save you time and money.