Shrinking the haystack: an overarching search in chemical databases

Posted by
András Volford
on 12 09 2020

Drug discovery is a knowledge-intensive process in which having the right information at hand can be critical in making the proper decision. With the exponentially growing amount of chemistry and biology-related data in public, commercial and corporate databases it becomes more and more challenging for chemists to find relevant information which helps them to move forward in the right direction with their research. In this poster we present an ongoing development aiming at providing chemists and other scientists in the pharmaceutical and biotech industries with relevant hits from vendor catalogs, virtual libraries, corporate inventories, in house and publicly available bioassay, metabolic and toxicology databases, as well as patent collections matching the chemical series standing in the focus of their research. Our novel chemical search technologies utilized in this development allow for an instant feedback from very extensive data collections, opening new perspectives in data driven molecule design.

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