{In this|Within this} {work|function|perform|operate}, we {develop|create} a machine {learning|studying|understanding|finding out|mastering} (ML) {strategy|technique|method|approach|tactic} to map molecular structure to condensed-phase charge transfer (CT) properties {including|such as|which includes|like} CT {rate|price} constants, {energy|power} levels, electronic couplings, {energy|power} gaps, reorganization energies, and reaction {free|totally free|free of charge|cost-free|absolutely free|no cost} energies, {which are|that are} {called|known as|referred to as|named} CT fingerprints. The CT fingerprints of {selected|chosen} landmark structures covering the conformation space of an organic photovoltaic molecule dissolved in explicit solvent are computed and {used|utilized|employed|utilised|applied|made use of} to train ML models {using|utilizing|making use of|employing|working with|applying} kernel ridge regression. The ML models show {high|higher} predictive {power|energy} with R2>0.97, and {both|each} {mean|imply} absolute error and root {mean|imply} square error {within|inside} chemical accuracy. The CT landscape for millions of molecular dynamics sampled structures is {thus|therefore|hence|as a result} constructed, which {allows|enables|permits|makes it possible for} for {instant|immediate} prediction of CT {rate|price} properties {given|offered|provided} any molecular structure. The unprecedented CT landscape will shed light on real-time CT dynamics in nanoscale and mesoscale condensed-phase systems, {and the|and also the|as well as the|along with the|plus the} optimal fabrication {design|style|design and style} for homogeneous and heterogeneous optoelectronic devices. 2-(2-Bromo-4-hydroxyphenyl)acetic acid Purity Formula of 940868-64-4 PMID:26895888
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