What are StarDrop and Semeta?
Semeta is a tailored platform for DMPK scientists. It enables users to address key challenges in drug metabolism.
By combining quantum mechanical simulations to estimate the reactivity of each potential site of metabolism, with accessibility descriptors which capture orientation and steric effects, Semeta enables you to understand more about:
- Which enzymes are responsible for your compounds’ metabolism, and which metabolites are formed;
- How you can reduce the risk of drug-drug interactions, and;
- How you can design new compounds with improved metabolic stability.
StarDrop, on the other hand, is a complete package of fully integrated software for small molecule design, optimisation and data analysis. It’s perfect for scientists looking for more than metabolism prediction.
At its core StarDrop provides access to state-of-the-art chemical visualisation and analysis tools. These can assist you in decision-making both in hit-to-lead and lead optimisation. You can extend StarDrop’s core functionality to cover:
- Generative chemistry, enabling you to explore optimisation strategies without bias
- Structure-based design, enabling you to visualise ligand and protein structures and identify key interactions driving binding affinity
- Ligand-based design, enabling you to understand binding conformations to identify and optimise novel active compounds
- In silico modelling, enabling you to both predict the key properties of your compounds, and to build QSAR models tailored to your chemistry
A key component of in silico modelling within StarDrop is the Metabolism module. It provides the same capabilities as the metabolism models within Semeta.
The ability to integrate all of this functionality into a single, easy-to-use software platform makes StarDrop a complete package for drug discovery.
Interested in StarDrop?
Hear what’s so special about StarDrop, direct from a user. Learn how adMare Bioinnovation is using StarDrop and the Metabolism module.
How does the implementation of the metabolism models differ between StarDrop and Semeta?
So, how does StarDrop compare to Semeta? The first thing to say here is what is not different. StarDrop and Semeta give identical metabolism predictions for any specific compound.
The packages differ only in three areas: how they are deployed, the user interface, and the additional functionality available regarding metabolism predictions.
| StarDrop | Semeta | |
|---|---|---|
| Deployment | Can be deployed as a desktop application that is installed locally or fully hosted, accessible through any compatible web browser | Deployed fully hosted and accessible through any compatible web browser |
| User Interface | Interfaces are almost identical. A Semeta or StarDrop user would have no problem using each tool | |
| Additional Functionality | Complete package for drug discovery | Limited to metabolism predictions |
Which tool is right for me?
The answer to this is really dependent on what you are trying to achieve. Interested solely in addressing metabolism challenges? Semeta can fulfil your needs. If, however, you or other colleagues would also benefit from other key capabilities (such as SAR analysis, generative chemistry and QSAR model building) over and above metabolism prediction, then StarDrop would be the way to go. You must undoubtedly consider your objectives.
To learn more about different metabolism prediction packages, check out this article.
About the author
Scott McDonald, MSc
Scott is a Business Development Manager at Optibrium, where he helps scientists make scientifically robust decisions through software solutions that enhance drug discovery and development. He works with clients to leverage Optibrium’s products.
With over 17 years of experience in the life sciences industry, Scott holds a Master’s degree in Chemistry from the University of Salford.
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