Kode Chemoinformatics can support you with QSAR/QSPR model development with different activities:
- Full service model:
- Data collection and curation;
- 1D/2D/3D molecular descriptors and fingerprint calculation;
- Features selection;
- Modeling, with the most up-to-date techniques (genetic algorithms, artificial neural networks, support vector machines, etc.)
- Validation of models, to assure robustness and predictive power
- Deployment/integration of models within VEGA platform or within your in-house platform
- Implementation of comprehensive QSAR/QSPR modeling platforms based on VEGA toolkit, integrated within your chemoinformatics architecture.
Are you wondering if you could leverage on a predictive model to reduce experimental work, both developing new models on your data and exploiting existing available models? Contact us, we will be happy to discuss your needs and design a suitable solution.
We can support you with designing and implementing database solutions to keep track of toxicological evaluations, both experimental and in-silico.
In this way, you will easily search which type of toxicological evaluation has been performed on your chemical, rapidly access to reports and metadata (compound class, process, etc.), saving time and money. This is an ideal solution for multidisciplinary teams involved in toxicological risk assessment (process chemists, analytical chemists, toxicologists and regulatory affairs) looking for a common platform to share information. It is also possible to extend the solution to give access to external partners to speed up evaluations requests and data/reports gathering.
Contact us, we will be happy to discuss your specific needs and design a suitable solution.