Visions for the Chemical Semantic Web (2000)

"The bane of my life is doings things I know computers could do for me" (Dan Connolly, W3C)

Examples that a robot could do:

• Find phase diagrams for lipid mixtures
• Find published molecules that obey "druggability" criteria
• Add molecular data to my monthly report, conformant to guidelines XYZ

...more ambitious...

• read J.Med.Chem and compute geometries and energies for all new molecules
• calculate binding to HIV protease
• order the chemicals required to synthesise them and check safety
• synthesise and test them