Molecule 1.4FREESimple modern chemical structure editor. Allow to draw and share chemical structure. MF, MW, Monoisotopic Mass and Elemental Composition calculated interactively during drawing.Version History Add support of thumbnails and preview in the Files app on...Read More Rating:
1H NMR 2.5PAIDApp to predict 1H NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 0.21 ppm (RMSD=0.31 ppm) obtained on a large independent dataset. - Instantly re-calculate the spectrum while changing the structure; -...Read More Rating:
Molecular Formula Generator 1.4FREEGenerates full list of molecular formulae based on molecular mass (m/z value) and elemental composition. - Specify m/z value, mass accuracy, possible element composition and double bonds equivalent; - Generate complete list of molecular formulae...Read More Rating:
m/z EPA CompToxFREEFind chemical structure by exact mass (m/z) in EPA CompTox structures. Instant search in a database of more than 700,000 structures.Read More Rating:
Orange NMR 2.4FREEApp to predict 13C and 1H NMR spectra: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly). The number of heavy atoms in structure to predict for...Read More Rating:
13C NMR 2.5PAIDApp to predict 13C NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm (RMSD=3.4 ppm). - Instantly re-calculate spectrum while changing structure; - Predicted spectra stored in iCloud and...Read More Rating:
CompTox MobileFREEFind chemical structure instantly by exact mass (m/z), ¹³C NMR chemical shifts, structure name or CAS Registry Number in a database of about 720,000 EPA CompTox structures. The Chemistry Dashboard is part of a suite of dashboards developed by EPA...Read More Rating:
Trivial Names 1.1FREEFind organic compound by its name. Contains about 188K compounds from different sources. Most compounds have links to internet databases: PubChem, EPA CompTox, HMDB and ChEBI.Version History Number of structures increased to 188500. 1.1 01/15/2019...Read More Rating:
m/z 2.0FREEFind chemical structure by exact mass (m/z). Instant search in a database of known structures with exact mass less than 340 Da (about 35 million) created from PubChem compounds database.Version History Database size increased to 35 million and 340...Read More Rating:
All NMR 3.0FREEApp to predict ¹³C and ¹H NMR spectra: draw a structure to see its spectra. The accuracy (Mean Average Error) of the algorithm is about 1.5 ppm for ¹³C and 0.21 ppm for ¹H (RMSE = 2.8 and 0.31 ppm correspondingly). - Instantly re-calculate spectra...Read More Rating:
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