Custom Scientific Software Development

We develop software solutions upon request. We undertake diverse challenges that range from the integration of our off-the-self products into an enterprise system or devising new algorithms and computational solutions to a challenging problem.

For example, we developed a software tool to help in the assessment of photo-oxidative damage of the retina induced by blue light. The result was an increase in throughput of over 10 fold for our client with a more accurate and complete set of results. The project required processing of high resolution images from a virtual microscope. The images were then processed by our algorithms to evaluate apoptosis in retinal pigment epithelial cells and automates the analysis of the distribution of viable cells after exposure relative to the optic nerve. This example shows that we know how to process images, handle very large data files, perform analysis of the data. In short, we cover all aspects of the discovery process, not just cheminformatics, molecular modeling or virtual screening, though we do that as well.

Drug Discovery Consulting

We have a comprehensive understanding of the full drug discovery cycle that allows our customers to have a partner that not only understands the tools but also is familiar with the needs of a drug discovery program. We have carried out a number of projects using molecular modeling to guide different aspects of the lead discovery and optimization process for a variety of targets. We have worked with clients to design libraries for screening for a variety of targets, provided training in cheminformatics and structure based design, we help select the most appropriate set of commercial tools to be deployed in an organization.

Some examples of Areas of Expertise Include:

  • Design of Chemical Libraries for Screening
  • Virtual screening
  • Molecular modeling and dynamics
  • Data Management, Chemical data handling
  • Machine Learning
  • Programming

For small molecules, peptides, proteins, RNA.



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