HSPiP: Datasets and Working Examples

You get a fully updated/revised set of HSP data for 1200+ chemicals. Estimated HSP and other data are tabulated for 10,000 chemicals in a separate file. The dataset includes CAS No., SMILES notation, Molecular Formula and Molecular Weight to help you. There is full search capability by name, CAS or Formula. We are grateful to Dr Hiroshi Yamamoto for providing the CAS No. and SMILES data for the dataset.

You get a dataset of 500+ polymers

You get (thanks to the generosity of SC Johnson Inc) a table of Surfactant HSP values. There is also a method for calculating surfactant HSP by mixing and matching the two halves of your chosen surfactant:

You get a large set of Fragrance chemicals (once again thanks to the generosity of SC Johnson).

And you get working data sets for many HSP evaluations – polymers, nanoparticles, C60, skin permeation, cytotoxicity, bitumen – everything that’s in the eBook comes with the real data (from many sources, including many generous people who have given us permission to use their data) which you can load into the software and explore for yourself.

For Solvent Optimization there is a large data set of common solvents complete with their Relative Evaporation Rates and Antoine Coefficients that allow calculation of evaporation rates at other temperatures.

Importantly, you can save/load your own data sets. They are simple text files which take up little storage space and are convenient for emailing to colleagues for discussion or even emailing to Steven Abbott if you want to raise an interesting point or donate your data to future editions of the eBook/software package.