Lead-Like In-Stock Navigator is a freely available intuitive online tool for visualization and navigation through the chemical space of Lead-Like In-Stock molecules. It is based on the hierarchical ensemble of chemical maps featuring Lead-Like In-Stock compounds from the COlleCtion of Open NatUral producTs (COCONUT), bioactive compounds from ChEMBL and commercially available molecules from ZINC.
Lead-Like In-Stock Navigator allows to efficiently analyze different aspects of Lead-Like In-Stock compounds - chemotype distribution, physicochemical properties, biological activity and commercial availability of Lead-Like In-Stock compounds. The latter concerns not only purchasable Lead-Like In-Stock compounds but also their close or pseudo-Lead-Like In-Stock compounds.
Lead-Like In-Stock Navigator can be used for different purposes:
• chemical space analysis;
• Lead-Like In-Stock libraries comparison;
• searching for the Lead-Like In-Stock compounds-analogues of the compound of interest;
• analysis of the biological activity of Lead-Like In-Stock compounds.
Lead-Like In-Stock Navigator allows to efficiently analyze different aspects of Lead-Like In-Stock compounds - chemotype distribution, physicochemical properties, biological activity and commercial availability of Lead-Like In-Stock compounds. The latter concerns not only purchasable Lead-Like In-Stock compounds but also their close or pseudo-Lead-Like In-Stock compounds.
Lead-Like In-Stock Navigator can be used for different purposes:
• chemical space analysis;
• Lead-Like In-Stock libraries comparison;
• searching for the Lead-Like In-Stock compounds-analogues of the compound of interest;
• analysis of the biological activity of Lead-Like In-Stock 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.