Abstract. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
Designing drugs is a current problem in the pharmaceutical research. By designing a drug we mean to choose some variables of drug formulation (inputs), for obtaining optimal charac...
Abstract-- This article describes the Candidate Design Environment we developed for efficient identification of promising drug candidates. Developing effective drugs from active mo...
M. Ihsan Ecemis, J. Wikel, C. Bingham, Eric Bonabe...
Abstract. A machine learning-based approach to the prediction of molecular bioactivity in new drugs is proposed. Two important aspects are considered for the task: feature subset s...
Discovering unknown adverse drug reactions (ADRs) in postmarketing surveillance as early as possible is of great importance. The current approach to postmarketing surveillance prim...
Yanqing Ji, Hao Ying, Margo S. Farber, John Yen, P...