PharmaInformatic uses a variety of descriptors to describe chemical structures, drug targets or surfaces of biomolecules. Some of them are well known in the chemInformatic community, some are proprietary knowledge of PharmaInformatic.
We use descriptors to identify relationships between specific chemical structural features or molecular patterns and biological activity or ADME properties, such as oral bioavailability.
The premise is that the biological activity of a compound is a consequence of its molecular structure.
Therefore we identify those aspects of molecular structure that are relevant to a particular biological activity.
We have developed novel molecular descriptors which can describe drug patterns effectively and accurately. Our descriptors can uptake even the most complex drug patterns, without using large storage capacities.
We can work with millions of compounds simultaneously and generate results in a very short time span.