AA-QSPR (Amino Acid Quantitative Structure-Property Relationship) database is a novel, freely available web-resource of data pertaining to naturally occurring and engineered amino acids. As such, the database currently includes general information about an amino acid (name, molecular structure etc.), the synthesis-type(s) that are known to produce an amino acid (e.g. meteorites, abiotic simulations, biosynthetic pathways, post-translational modification, engineered, etc.) and fundamental biophysical properties (i.e. van der Waals volume, isoelectric point, and LogP).

The database has been designed with Java and XML technologies to provide a flexible and open structure, suitable for future development that incorporates new data types and properties. In addition to providing easy interactions for queries by external computers, this database offers a user-friendly web-based interface facilitating human interactions (submission, storage, and retrieval of amino acid data).

The following links take you to different web tools, which allow you to explore and even download the content of AA-QSPR. Seek Help when needed. Please email your comments or questions to: LU2 AT umbc DOT edu.

• Browse
• All Amino Acids in AA-QSPR
• Search Amino Acid(s) in AA-QSPR
• Analysis and Visualization
• Build Minimum Spanning Tree
• View Scatter Plot of Amino Acids
• Do it yourself
• Predict Molecular Descriptor Values for Amino Acids or Other Chemicals
• Register/login to upload your XML file or generate/upload XML file with an online form for an amino acid
• View XML Files Uploaded by Users
• Download
• Zip File of All XML Files in AA-QSPR
• XML Schema of AA-QSPR
• ASCII File of AA-QSPR

System Requirement: Please check Help for browser compatibilities and make sure that Java plug-in is installed on your browser before running Java applets of AA-QSPR. Java plug-in can be downloaded from http://www.java.com/en/download/manual.jsp.

Websites regarding only the 20 standard amino acids are NCBI Amino Acid Explorer, AAindex: Amino acid index database, DBGET Search, and UMBC Amino Acid Explorer.