Abstract: A method and system of predicting molecular properties is provided herein. The method includes representing a molecule as a graph and a string. The method further includes encoding the graph into a first feature representation and the string into a second feature representation, using a graph neural network and a transformer-based network, respectively. The method further includes concatenating the first feature representation obtained from the graph neural network and the second feature representation obtained from the transformer-based network to create a combined feature representation. The method further includes fusing the combined feature representation using a linear layer to obtain a synergistic combined feature representation for the molecule. The method further includes predicting one or more molecular properties for the molecule using the synergistic combined feature representation and a predictor network.