Molecular Anatomy
Molecular Anatomy web server allows to generate molecular frameworks according to the definition rules identifying a set of nine molecular representations at different abstraction levels to define a multi-dimensional network of hierarchically interconnected molecular frameworks. The protocols prepare also the files for a network visualization that allows a full graphical representation compounds dataset, permitting an efficient navigation in the scaffold’s space and significantly contributing to perform high quality SAR analysis.
DompéKeys
DompeKeys webserver allows to generate a new substructure-based fingerprint descriptor, encoding patterns of functional groups and chemical features contained in compounds of pharmaceutical interest. DompeKeys descriptors are very well-suited in particular to identify the main chemical moieties responsible for a specific biological activity, to map the chemical space of different compound libraries and to predict compound activities by machine-learning (ML) models.
