Direct application of bio-oil as fuel is limited by its undesirable properties such as low heating value, high viscosity, and non-homogenous aqueous and organic phases. Direct addition of solvent to bio-oil is one of the most practical approaches to improve bio-oil properties because of its simplicity and low processing cost. This inspired the design of solvents to enhance bio-oil properties upon physical blending. One of the major challenges faced in solvent design is the immiscibility of final blend due to the difference in polarity of solvent and bio-oil molecules. This work presents a computer-aided molecular design (CAMD) framework to identify potential solvent candidates that allow bio-oil to satisfy targeted properties with minimal solvent addition. Moreover, a model for phase stability analysis is developed based on Gibbs tangent plane distance, which covers miscibility check on solvent-oil blend, generation of phase diagram, and addition of binding agents to homogenise the blend. (C) 2019 Elsevier Ltd. All rights reserved.