《藥物化學雜志》發表了關于分子結構與生物活性相關性的原創研究，重點關注化學與生物活性之間的關系。這包括設計和合成新穎的具有生物活性的化合物,分子設計修改目標藥物到特定的組織,在藥物代謝行為的作用,應用核磁共振和x射線晶體學研究分子識別受體,分子建模研究提供新的見解新穎的代理的設計,和分子生物學研究,研究配體和受體之間的相互作用。除了快速出版研究成果，這本著名的雜志還出版了一個視角系列，致力于一個單一的研究主題，溝通，簡短的文章，和廣泛的書評部分。

The Journal of Medicinal Chemistry publishes original research on the correlation of molecular structure to biological activity with a focus on the relationships of chemistry to biological activity. This includes design and synthesis of novel biologically active compounds, molecular modifications designed to target drugs to specific tissues, the role of metabolism in drug actions, application of NMR and X-ray crystallography to investigate molecular recognition at receptors, molecular modeling studies that furnish fresh insight into the design of novel agents, and molecular biology studies to study the interaction of ligands and receptors. In addition to the rapid publication of research findings, this renowned journal also publishes a Perspective series devoted to a single research topic, communications, brief articles, and extensive book review sections.