Applications of Graph Theory in Molecular Similarity Measurements
Venkatesh Kamath, Aravinda Pai · Research Journal of Pharmacy and Technology · 2018
In the present review, the application of finger-print based molecular similarity applications and their role in drug design is discussed briefly. Finger-print based molecular similarity methods are gaining importance in the modern drug discovery owing to their statistical accuracy and reliable predictivity. Some of the important similarity coefficients and 2D fingerprinting techniques are also briefly discussed.