Informatics
Figure 1
The research cycle during the lead optimisation phase of
drug discovery. While the cycle applies to both small molecule and biologics discovery, the details vary greatly, and applying methods and
processes from the former to
the latter should be done only with careful consideration of those differences
sation phase, the fundamental cycle of design > make > test > analyse and report, and back to the next design phase are shared across both small molecule and biologics discovery (Figure 1). An informatics system designed to help scientists effi- ciently gather information during the make/test phase can then be exploited to make the best deci- sions during the analyse/design phase. So, oppor- tunities for adaptation of small molecule methods should exist. At the same time, the workflows used in the discovery of small molecules and bio- logics are different in many key respects, and so what works for the former may not work, or at least require some careful adaptation, for the lat- ter. Finally, knowledge of the most recent and evolving trends in small molecule discovery may be useful in anticipating similar future trends in biologics. While the benefits may not be immedi- ately realisable, awareness of these trends could be advantageous when planning and preparing for the future.
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Implementation of an informatics environment One area of fundamental importance to drug dis- covery is the proper use of informatics to support, and not detract from, the scientific process of dis- covery research and overall innovation. Today, information technology (IT) is deeply integrated and a fundamental part of the drug development process, as it is with almost any other industry. But in the history of drug development, this was not always the case, given that the fields of IT and modern drug discovery emerged and evolved over a similar time period. Introduction of computa- tional servers, electronic databases and subse- quently personal computers, along with many other IT innovations, all occurred during the histo- ry of modern drug discovery, not preceding it. Adoption of IT, intended to improve drug discov- ery processes, also meant significant disruption as those technologies themselves were undergoing rapid evolution. These technologies are now quite
Drug Discovery World Spring 2018
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