The Institute of Pharmaceutical Innovation

Informatics for industry - 2. Statistical bridges.

The article considers the use of statistical methods as an approach to bridging the size scale problem, a problem which molecular modellers so
often encounter. Using statistical methods such as Quantitative Structure Property Relationships, the results obtained by molecular methods on
molecular properties such as dipole moment, atomic charge and molecular orbital energies can be correlated with bulk, material properties such as viscosity, glass transition temperature, fire retardancy or optical transparency.