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2018 ; 4
(7
): 793-804
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Designing Algorithms To Aid Discovery by Chemical Robots
#MMPMID30062108
Henson AB
; Gromski PS
; Cronin L
ACS Cent Sci
2018[Jul]; 4
(7
): 793-804
PMID30062108
show ga
Recently, automated robotic systems have become very efficient, thanks to
improved coupling between sensor systems and algorithms, of which the latter have
been gaining significance thanks to the increase in computing power over the past
few decades. However, intelligent automated chemistry platforms for discovery
orientated tasks need to be able to cope with the unknown, which is a profoundly
hard problem. In this Outlook, we describe how recent advances in the design and
application of algorithms, coupled with the increased amount of chemical data
available, and automation and control systems may allow more productive chemical
research and the development of chemical robots able to target discovery. This is
shown through examples of workflow and data processing with automation and
control, and through the use of both well-used and cutting-edge algorithms
illustrated using recent studies in chemistry. Finally, several algorithms are
presented in relation to chemical robots and chemical intelligence for knowledge
discovery.