Israel Science and Technology Directory

Chemistry : Online Software Tools

Online ToolDescription
Converter for chemical energiesConversion between kJ/mol and kcal/mol chemical energy units.
PRODRGServer will convert coordinates for small molecules in PDB format to the following topology formats: GROMOS, GROMACS, WHAT IF, REFMAC5, CNS, O, SHELX, HEX and MOL2. In addition, coordinates for hydrogen atoms are generated.
Property ExplorerAllows drawing chemical structures and calculates solubility, drug-likeness properties.
SwissADMECompute physicochemical descriptors as well as to predict ADME parameters, pharmacokinetic properties, druglike nature and medicinal chemistry friendliness of one or multiple small molecules to support drug discovery.
chemicalize.orgChemAxon's Name to Structure parsing to identify chemical structures on webpages and other text.
eMoleculesChemical structure search by drawn structural models.