By studying transport through seven structurally related porphyrin derivatives with a machine learning algorithm we could identify and distinguish three different electronic paths.

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We present experimental and theoretical studies of the single-molecule conductance through non-planar fullerocurcuminoid molecular dyads in ambient using the mechanically controllable break junction technique. We show that molecular dyads with bare fullerenes form configurations with conductance features related to different transport channels within the molecules, as identified with filtering and clustering methods. The primary channel corresponds to charge transport through the methylthio terminated backbone. Additional low-conductance channels involve one backbone side and the fullerene. In fullerenes with attached four equatorial diethyl malonate groups the latter transport pathway is blocked. Density Functional Theory calculations corroborate the experimental observations. In combination with Non-Equilibrium Green Functions the conductance values of the fullerocurcuminoid backbones are found to be similar to those of a planar curcuminoid molecule without a fullerene attached. In the non-planar fullerocurcuminoid systems the highestconductance peak occurs partly through space, compensating for the charge delocalization loss present in the curcuminoid system.