Questions and Issues About the Process of Estimating Properties of Chemicals

Questions and issues about property prediction are addressed and discussed. Issues such as reliability, evaluation of predicted values and how to handle different/multiple values predicted from different methodology, and how the data should be presented to the user community are critical to a project of the scale of the Beilstein database of chemicals. Lastly a proposal is presented as to how to initially address large-scale prediction of properties of chemicals.