Heatmap for easy assessment of substance–target affinity
To help researchers hone in on the most promising substance–target interactions, we’ve added the Heatmap. This great feature generates an overview of the relationships between substances and their targets in terms of standardized values that facilitate comparisons.
See how Reaxys can benefit your organization.
Get a clear overview of the bioactive interactions of substances and targets
Reaxys Medicinal Chemistry has a Heatmap* that provides a clear overview of the relationships between substances and their targets. This enables rapid and confident identification of the most relevant interactions. Its parameter settings are flexible: changing them reveals new relationships between substances and protein targets or cell lines.
Normalized values for easy affinity comparisons
To facilitate comparisons of biodata from different publications, all the data points in Reaxys Medicinal Chemistry have pX values. These are normalized values assigned to the data to enable easy quantification of the substance– target affinity and comparison of information from all around the world. They are displayed in the Heatmap for convenient reading.
The default display shows chemical substances (Y-axis) versus biological targets (X-axis) and activity potency as pX (in the cells). These settings can be changed by accessing the heatmap settings button in the menu bar. The Navigator frame enables quick navigation through the heatmap. The colors in the Heatmap and in the navigator panel refer to the potency of a substance with blue showing low potency and red showing high potency, based on the pX values.
Heatmap facilitates decisions about the potential of drug candidates early in the workflow of new drug development and drug repurposing.
* Heatmap is available to all users with a Reaxys Medicinal Chemistry license.
Learn more about how the Heatmap boosts the power of drug discovery research in these application notes:
- Ensuring the pharmacological and safety profile of new antipsychotics
- Analyzing in vitro results for 5-HT Ligands
- Re-examining the potential of barbiturates
- Identifying a polypharmacological profile for phenothiazines
- In silico investigation of off-target effects
- QSAR modeling of ErbB1 inhibitors using genetic algorithm-based regression