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Molinspiration Free Services |
Calculation of molecular physicochemical properties relevant to drug design and QSAR, including logP, molecular polar surface area (PSA), and the Rule of 5 descriptors.
More information about the calculated parameters; see also the property calculation FAQ.
Calculation of bioactivity score and drug-likeness for GPCR ligands, ion channel modulators, kinase inhibitors and nuclear receptor ligands (interactive virtual screening), choose the [Predict Bioactivity] option.
More information about calculation of bioactivity scores and virtual screening.
Generation of 3D molecular geometry from molecular connectivity information (SMILES) by a Molinspiration 3D structure generator Galaxy (currently in beta).
Substructure and similarity search to illustrate the Molinspiration web-based structure search technology.
More information about the structure search engine.
The future of free Molinspiration interactive services depends also on you ! Let us know which other services would you find useful in your work. Any comments and suggestions are welcome !