Based on the molecular simulation theory of quantum and molecular mechanics, computer aided drug design (CADD) is capable of predicting the interaction between drugs and target molecules, screening and designing the methodology for optimizing lead compounds through simulating, calculating or model learning. We have a professional and energetic team with extensive practical experience in CADD, and are able to implement structure-based or ligand-based pharmaceutical designing strategies, and predict physicochemical and DMPK properties with the aim to improve the efficiency of R&D of innovative drugs.