The emergence of data-intensive scientific discovery and machine {learning|studying|understanding|finding out|mastering} has {dramatically|significantly|drastically|substantially|considerably} changed the way in which scientists and engineers {approach|method|strategy} {materials|supplies|components} {design|style|design and style}. {Nevertheless|Nonetheless}, for designing macromolecules or polymers, {one|1|a single|one particular} limitation {is the|will be the|may be the|would be the|could be the|is definitely the} lack of {appropriate|suitable|proper|acceptable} {methods|techniques|strategies|approaches|procedures|solutions} or {standards|requirements} for converting systems into chemically informed, machine-readable representations.This featurization {process|procedure|method|approach|course of action} is {critical|crucial|vital|essential|important} to {building|developing|creating|constructing} predictive models {that can|that may|that will|that could|which will|which can} guide polymer discovery.{Although|Even though|Though|Despite the fact that|While} {standard|regular|normal|common|typical} molecular featurization {techniques|methods|strategies|tactics|approaches|procedures} {have been|happen to be|have already been} deployed on homopolymers, such approaches capture neither the multiscale nature nor topological complexity of copolymers, and {they have|they’ve} {limited|restricted} application to systems that {cannot|can’t|can not} be characterized by a single repeat unit.Herein, we present, evaluate, and analyze a series of featurization {strategies|methods|techniques|approaches|tactics} {suitable|appropriate} for copolymer systems.These {strategies|methods|techniques|approaches|tactics} are systematically examined in diverse prediction tasks sourced from {four|4} distinct datasets that {enable|allow} understanding of how featurization can {impact|influence|effect} copolymer {property|home|house} prediction.{Based on|According to|Depending on|Determined by} this comparative {analysis|evaluation}, we {suggest|recommend} {directly|straight} encoding polymer size in polymer representations when {possible|feasible|achievable|attainable|doable|probable}, adopting topological descriptors or convolutional neural networks when the precise polymer sequence is {known|recognized|identified}, and {using|utilizing|making use of|employing|working with|applying} chemically informed unit representations when {developing|creating|building|establishing} extrapolative models.These {results|outcomes|final results|benefits} {provide|offer|supply|give|present|deliver} guidance and future directions {regarding|concerning|relating to|with regards to} polymer featurization for copolymer {design|style|design and style} by machine {learning|studying|understanding|finding out|mastering}. (S)-2-Piperidinone-6-carboxylic acid site Br-PEG3-C2-Boc web PMID:23907051
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