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...
The pharmaceutical industry is facing an ever-increasing demand to discover novel drugs that are more effective and safer than existing ones. The industry faces huge problem in im...
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...
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...
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...