The discovery and development of new chemical entities

New potential drugs are one of the primary activities of the Pharmaceutical and Biotech companies. The process to discover a new compound is long and has many steps that needs of analytical techniques to get successfully to the final goal in an acceptable time frame. In order to increase the efficiency and efficacy of the multiple workflows that have to be considered, we have developed and we are continuously working to develop software strategies in the compound analysis field, considering Liquid Chromatography and various flavors of Mass Spectrometry, ultraviolet, radio trace, NMR, or fluorescence detection, always having in mind the optimization and automation of the processes with respect to time and outcome and maximizing the information that can be extracted from the data.

One of our key aspects in the data interpretation area is our ability to read and interpret data from multiple instrument vendors, harmonizing the operation and the output independent of the instrument and acquisition mode used, therefore reducing the time an expert needs to dedicate to learn multiple software from the different vendors. We have collaborated with the instrument vendors to make the user experience as good as possible.

Heap of medical pills in white, blue and other colors. Pills in plastic package. Concept of healthcare and medicine.

The transformation of the analytical data to information in a fast and automate fashion is not really the end of the process, conversely, it is the starting to take informed decisions on how to proceed on assay utilization, structure optimization, formulation selection, hypothesis validation, compound characterization, etc. Consequently, we are not only providing tools to analyze data but also using the information generated from that analysis to develop for example Machine Learning model for multiple endpoints, studying potential secondary pharmacology for the compound, the metabolites or reporting the results comparing multiple experiments types. Therefore, the user can make informed decisions in the Design-Synthesis-Test cycle that follows the scientific methodology in the development of a new medicine.

Since we are not limited to any specific workflow with a high degree of flexibility, our solutions are useful for Drug Metabolism and Pharmacokinetics departments, Life Sciences, Chemistry, Omics, Translational medicine, etc.



One of the key features of the proposed approaches is the opportunity to have the experimental data processing together with computational tools to use the data and to predict multiple endpoints. Among other options, we are able to link to the Molecular Discovery prediction tools, widely used in the Drug Discovery, but also being helpful in many other fields.

molecule model. Science concept. 3d rendering,conceptual image.