Fragment-like Navigator is a freely available intuitive online tool for visualization and navigation through the chemical space of Fragment-like molecules. It is based on the hierarchical ensemble of chemical maps featuring Fragment-like compounds from the COlleCtion of Open NatUral producTs (COCONUT), bioactive compounds from ChEMBL and commercially available molecules from ZINC.
Fragment-like Navigator allows to efficiently analyze different aspects of Fragment-like compounds - chemotype distribution, physicochemical properties, biological activity and commercial availability of Fragment-like compounds. The latter concerns not only purchasable Fragment-like compounds but also their close or pseudo-Fragment-like compounds.
Fragment-like Navigator can be used for different purposes:
• chemical space analysis;
• Fragment-like libraries comparison;
• searching for the Fragment-like compounds-analogues of the compound of interest;
• analysis of the biological activity of Fragment-like compounds.
Fragment-like Navigator allows to efficiently analyze different aspects of Fragment-like compounds - chemotype distribution, physicochemical properties, biological activity and commercial availability of Fragment-like compounds. The latter concerns not only purchasable Fragment-like compounds but also their close or pseudo-Fragment-like compounds.
Fragment-like Navigator can be used for different purposes:
• chemical space analysis;
• Fragment-like libraries comparison;
• searching for the Fragment-like compounds-analogues of the compound of interest;
• analysis of the biological activity of Fragment-like compounds.
ChemSpace Tracker is a tool that allows to navigate and explore chemical space around user-defined molecules of interest – so-called “trackers” or tracking set. Trackers will be projected onto the map in order to tag regions of the chemical space containing their close analogues.
The user can choose different types of map coloration. Regions of the chemical space around the tracker Maps can be zoomed to improve chemotype separation.
When the number of closest neighbors of the tracker is reasonably small (less then 1 000) they can be displayed and further downloaded. The user can select the source of the compounds to be displayed.
The user can choose different types of map coloration. Regions of the chemical space around the tracker Maps can be zoomed to improve chemotype separation.
When the number of closest neighbors of the tracker is reasonably small (less then 1 000) they can be displayed and further downloaded. The user can select the source of the compounds to be displayed.