分子信息學(xué)是一個同行評議的國際論壇，旨在發(fā)表關(guān)于生物/化學(xué)信息學(xué)和計(jì)算機(jī)輔助分子設(shè)計(jì)的所有分子方面的高質(zhì)量跨學(xué)科研究。分子信息學(xué)在2010年獲得QSAR &組合科學(xué)的成功。分子信息學(xué)提供了方法上的創(chuàng)新，將導(dǎo)致對配體-受體相互作用、大分子復(fù)合物、分子網(wǎng)絡(luò)、設(shè)計(jì)概念和過程的更深入的理解，這些概念和設(shè)計(jì)概念展示了思想和設(shè)計(jì)概念如何導(dǎo)致具有所需結(jié)構(gòu)或功能的分子，最好包括實(shí)驗(yàn)驗(yàn)證。該雜志的范圍包括但不限于藥物發(fā)現(xiàn)和化學(xué)生物學(xué)、蛋白質(zhì)和核酸工程和設(shè)計(jì)、納米分子結(jié)構(gòu)設(shè)計(jì)、大分子組裝建模策略、分子網(wǎng)絡(luò)和系統(tǒng)、藥物和化學(xué)基因組學(xué)、計(jì)算機(jī)輔助篩選策略以及生物活性分子從頭設(shè)計(jì)的新技術(shù)。分子信息學(xué)作為一門獨(dú)特的學(xué)科，在期刊范圍內(nèi)發(fā)表具有重要技術(shù)概念和進(jìn)展的“方法角”評論類文章。

Molecular Informatics is a peer-reviewed, international forum for publication of high-quality, interdisciplinary research on all molecular aspects of bio/cheminformatics and computer-assisted molecular design. Molecular Informatics succeeded QSAR & Combinatorial Science in 2010.Molecular Informatics presents methodological innovations that will lead to a deeper understanding of ligand-receptor interactions, macromolecular complexes, molecular networks, design concepts and processes that demonstrate how ideas and design concepts lead to molecules with a desired structure or function, preferably including experimental validation.The journal's scope includes but is not limited to the fields of drug discovery and chemical biology, protein and nucleic acid engineering and design, the design of nanomolecular structures, strategies for modeling of macromolecular assemblies, molecular networks and systems, pharmaco- and chemogenomics, computer-assisted screening strategies, as well as novel technologies for the de novo design of biologically active molecules. As a unique feature Molecular Informatics publishes so-called "Methods Corner" review-type articles which feature important technological concepts and advances within the scope of the journal.