In this issue of PET Clinics, guest editors Drs. Arman Rahmim, Kuangyu Shi, and Babak Saboury bring their considerable expertise to the topic of Computational and AI Methods toward Successful Applications of Theranostics. The field of nuclear medicine is currenting undergoing a renaissance, directly related to theranostics applications, where we can “see what we treat and treat what we see” using radiopharmaceuticals that target important disease biomarkers with high sensitivity. This special issue focuses on computational and AI methods tools and techniques available and under development to enable optimal use of theranostic applications.