In early development of medicinal chemistry, there are a lot of considerations, such as determining promising agents and dosage form. Pharmaceutical Technology interviewed Chase Smith, PhD, senior application scientist at Optibrium (a software company for drug discovery), and Kevin Short, director of medicinal chemistry at Verseon International (a clinical-stage pharmaceutical company), who discuss key considerations for medicinal agents in early development, challenges and opportunities in medicinal chemistry, what data to consider when selecting a high-potential drug candidate, and how artificial intelligence (AI) can be harnessed in this process. PharmTech: What are key considerations when working with medicinal agents in the early development phase? Short (Verseon): The most obvious general consideration is whether or not there are multiple paths forward. Since the medicinal chemist will inevitably synthesize multiple rounds of compounds in order to optimize physicochemical properties, pharmacologists will need to ensure there are easily accessible and relevant pharmacokinetics and disease models, which will interrogate the compound candidates.