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Molinspiration Products and Services Calculation of Molecular Properties and Drug-likeness
Virtual Screening for Kinase Inhibitors and GPCR Ligands Cheminformatics or Chemoinformatics ?
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molinspiration is an independent research organization focused on development and application of modern cheminformatics techniques, especially in connection with the internet.
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.
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