Molinspiration Products and Services Calculation of Molecular Properties and Drug-likeness Virtual Screening for Kinase Inhibitors and GPCR Ligands Molinspiration Publications FAQ JME Molecular Editor Cheminformatics or Chemoinformatics ? Contact Molinspiration

molinspiration is an independent research organization focused on development and application of modern cheminformatics techniques, especially in connection with the Internet. NEW Molinspiration Galaxy 3D Structure Generator Galaxy generates reliable 3D molecular structures from molecular connectivity (2D information) such Daylight SMILES or MDL Molfile. Galaxy is fast, what allows generation of 3D molecular structures for large chemical databases easily. It is written in Java, therefore can be used practically on any computer or operating system. Galaxy comes with a built-in 3D molecule viewer GalaxyVisualizer which allows also generation of molecular images in various formats. Molinspiration offers a free web service which allows generation of 3D structures, display of various 3D molecular properties (molecular hydrophobicity potential or polar surface area) and download of generated 3D geometries. molinspiration offers broad range of cheminformatics software tools supporting molecule manipulation and processing, including SMILES and SDfile conversion, normalization of molecules, generation of tautomers, molecule fragmentation, calculation of various molecular properties needed in QSAR, molecular modelling and drug design, high quality molecule depiction, molecular database tools supporting substructure search or similarity and pharmacophore similarity search. Our products support also fragment-based virtual screening, bioactivity prediction and data visualization. Molinspiration tools are written in Java, therefore are available practically on any computer platform. molinspiration supports also internet chemistry community by offering free on-line cheminformatics services for calculation of important molecular properties (for example logP, polar surface area, number of hydrogen bond donors and acceptors), as well as prediction of bioactivity score for the most important drug targets (GPCR ligands, kinase inhibitors, ion channel modulators, nuclear receptors) and possible molecular toxicity. molinspiration software is used by hundreds of users in industry and academia to produce high-quality cheminformatics science. See some examples on the right or check the list of publications produced with help of our software.