The interactive maps
ChemMaps.com is a cheminformatics-powered webserver aiming at facilitating visual browsing and inspection of a given chemical space. The first version was developed in collaboration between the North Carolina State University (NCSU) and the National Institute of Environmental Health Sciences (NIEHS). In the second version a particular emphasize has been given to the environmental chemical space. ChemMaps.com includes four customizable 3D maps.
An intuitive navigation
Inspired by popular navigation tools such as Google Maps, ChemMaps.com includes a large set of 3D navigation tools including a search bar, an interactive chemicals description panel and a controller panel that allows to choose chemicals representation, color range and chemical properties on the map.
A personalized map
A user can personalize each map with up to five precomputed chemicals properties. Chemicals on the map will be represented using their properties that user can interactively change. A user is allowed to project on a map their own chemicals. ChemMaps.com can compute on the fly coordinates of each new chemical. All results are downloadable including 2D and 3D molecular descriptors computed on the fly using RDKIT (v.2022.03.4) and physico-chemical properties computed using OPERA (v.2.7).
