《計算機輔助分子設(shè)計雜志》提供了一種傳播分子分析和設(shè)計中基于計算機的方法的理論和應用信息的形式。該雜志的范圍包括報告以下領(lǐng)域新的和原始的研究和應用的論文：理論化學；計算化學；計算機和分子圖形；分子模型；蛋白質(zhì)工程；藥物設(shè)計；專家系統(tǒng)；一般結(jié)構(gòu)-財產(chǎn)關(guān)系；分子動力學；化學數(shù)據(jù)庫的開發(fā)和使用。特別歡迎在制藥、聚合物、材料和表面科學以及其他基于分子的學科的計算機輔助分子建模研究方面做出貢獻。從第15卷起，每卷的一些問題將專門討論藥物發(fā)現(xiàn)和設(shè)計方面的觀點，并且不時的概述將包括在“常規(guī)”JCAMD問題中。從藥物發(fā)現(xiàn)和設(shè)計的角度出發(fā)，簡要概述了藥物發(fā)現(xiàn)和設(shè)計多學科領(lǐng)域的最新進展。藥物發(fā)現(xiàn)和設(shè)計的預期視角范圍大于專業(yè)期刊，并從藥物發(fā)現(xiàn)和設(shè)計的中心和補充領(lǐng)域汲取。在每一個專題問題中，受邀專家提供最新進展，強調(diào)機會，并指出在藥物發(fā)現(xiàn)和設(shè)計中使用計算機的當前局限性。文章只能由受邀的客座編輯根據(jù)他們在這一領(lǐng)域的總體專業(yè)知識來選擇，并被推薦以確保最高的質(zhì)量和覆蓋范圍。

The Journal of Computer-Aided Molecular Design provides a form for disseminating information on both the theory and the application of computer-based methods in the analysis and design of molecules. The scope of the journal encompasses papers which report new and original research and applications in the following areas:theoretical chemistry;computational chemistry;computer and molecular graphics;molecular modeling;protein engineering;drug design;expert systems;general structure-property relationships;molecular dynamics;chemical database development and usage.Contributions on computer-aided molecular modeling studies in pharmaceutical, polymer, materials and surface sciences, as well as other molecular-based disciplines, are particularly welcome.As of Volume 15, a number of issues per volume will be dedicated to Perspectives in Drug Discovery and Design and from time to time overviews will be included in `regular' JCAMD issues. Perspectives in Drug Discovery and Design was established to publish succinct overviews of current developments in the multidisciplinary area of drug discovery and design.The intended scope of Perspectives in Drug Discovery and Design is greater than that of specialty journals and draws from fields both central and supplementary to those of drug discovery and design. In each thematic issue invited experts provide recent developments, highlight opportunities and indicate current limitations concerning the use of computers in drug discovery and design.Articles are by invitation only from guest editors chosen for their overall expertise in the area, and are refereed in order to ensure the highest quality and breadth of coverage.