The procedure of drug approval is time-consuming, costly and risky. Accidental findings regarding multispecificity of approved drugs led to block-busters in new indication areas. ...
Joachim von Eichborn, Manuela S. Murgueitio, Mathi...
Background: A priori analysis of the activity of drugs on the target protein by computational approaches can be useful in narrowing down drug candidates for further experimental t...
Pelin Armutlu, Muhittin Emre Ozdemir, Fadime Ü...
Background: A key goal of drug discovery is to increase the throughput of small molecule screens without sacrificing screening accuracy. High-throughput screening (HTS) in drug di...
We present a new representation for a genetic algorithm to evolve molecular structures representing possible drugs that bind to a given protein target receptor. Our representation...