ChemGPS-NP Web

A tool tuned for navigation in biologically relevant chemical space

ChemGPS-NP Web

A tool tuned for navigation in biologically relevant chemical space

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API

About ChemGPS-NP

ChemGPS-NP is a principal component analysis (PCA) based global space map or a chemical global positioning system.

Prediction

Use the online queue management tool for submitting jobs for predition using the ChemGPS-NP model.

Database

All predicted (known good) molecules are collected along with their computed positions in a public database that can be browsed or searched online.

Web services

Develop your own applications or integrate ChemGPS-NP Web with your system by using the web service API's.

Cite

If you use this application in a publication, please cite: Larsson J, Gottfries J, Muresan S, Backlund A. J Nat Prod. 2007;70(5):789-794, and Rosén J, Lövgren A, Kogej T, Muresan S, Gottfries J, Backlund A. J Comput Aided Mol Des. 2009;23(4):253-259.

Contributors

ChemGPS-NP Web was developed in cooperation with: