Aims and scope

The Journal of Computer-Aided Molecular Design provides a forum 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
●        chemoinformatics and bioinformatics
●        computer and molecular graphics
●        molecular modeling
●        protein engineering
●        drug design
●        machine learning methods
●        expert systems
●        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 welcome.  Timely original review articles and perspectives are also welcome.

Priority will be given to papers with experimental validation of the computational results.  In particular, predictive methods using traditional approaches should be accompanied by compelling experimental evidence. For studies reporting novel methods or innovative computational strategies, a proper retrospective validation may suffice, although a prospective validation is encouraged.