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Cheminformatics on the Web
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Latest News
Bioactivity scores updated, scores for proteases and enzymes added. June 2011
RESTful web API to our services is available. May 2011 Improved interface to our free molecular property calculation and bioactivity prediction services.May 2011 |
Molinspiration Cheminformatics Software
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 and similarity searches. Our products support also fragment-based virtual screening, bioactivity prediction and data visualization. Molinspiration tools are written in Java, therefore can be used practically on any computer platform.
Free Web Tools for Cheminformatics Community
Molinspiration supports internet chemistry community by offering free on-line services for calculation of important molecular properties (logP, polar surface area, number of hydrogen bond donors and acceptors and others), as well as prediction of bioactivity score for the most important drug targets (GPCR ligands, kinase inhibitors, ion channel modulators, nuclear receptors). Number of molecules processed every month is exceeding 80,000 in 2011!
More than 600 Citations in Scientific Papers!
Molinspiration software is used by hundreds of cheminformatics experts in industry and academia to produce high-quality scientific results. Check the list of publications produced with help of our software.
JME Molecule Editor
Molinspiration is proud to offer a web home for JME Editor, probably the most used structure input tool on the Internet.
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Galaxy 3D Structure Generator
Molinspiration Galaxy generates reliable 3D molecular geometries from molecular connectivity (2D information) such as 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, that allows also generation of molecular images in various formats.
Molinspiration offers a free web service that 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 Molecule Viewer
Molinspiration Molecule Viewer allows visualization of collection of molecules encoded as SMILES or SDfile. SMILES is automatically transformed into molecule 2D representation by our depiction engine. Display of associated data, selection of molecules, built-in substructure search and export of selected molecules is supported. Viewer is written in Java, therefore is platform independent and may by used on any computer where the Java runtime is installed. Ask for free evaluation now!
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