of molecules from a combination of derivatives of the electron density of a reference molecule with respect to nuclear charges based on perturbation expansions. While the change in the number of electrons is allowed, this work considers isoelectronic chemical space. In the MDM procedure, and for all the candidate molecules with equivalent nuclear coordinates are calculated using APDFT. The accuracy of APDFT energy has been intensively investigated for the perturbation order and basis sets. In the iso-geometric chemical space, APDFT gives accurate predictions. An efficient analytical energy derivative has been proposed within the restricted Hartree-Fock theory. Because the accuracy of APDFT depends on the reference electronic structure theory, the direct derivative of the APDFT energy with respect to the nuclear coordinates was employed for MDM. The convergence of the perturbation expansion was confirmed for several atoms and molecules. Quantum alchemy has been widely applied to investigate catalysis, covalent bond energies, 18, 37 non-covalent interactions, mixtures, protonation and deprotonation energies, 33, 39-40 and chemical reactions. Although APDFT can calculate various response properties, to the best of our knowledge, few studies have applied APDFT to the prediction of non-energetic properties. In this work, we investigate the accuracy of APDFT for the electric dipole moment for molecular design.