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TEC
2008
99views more  TEC 2008»
13 years 4 months ago
A Drug Candidate Design Environment Using Evolutionary Computation
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...
GECCO
2006
Springer
172views Optimization» more  GECCO 2006»
13 years 8 months ago
Multi-objective optimisation of the protein-ligand docking problem in drug discovery
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...
A. Oduguwa, A. Tiwari, S. Fiorentino, R. Roy
DIS
2003
Springer
13 years 10 months ago
Prediction of Molecular Bioactivity for Drug Design Using a Decision Tree Algorithm
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...
Sanghoon Lee, Jihoon Yang, Kyung-Whan Oh
NCA
2007
IEEE
13 years 4 months ago
Ensemble of hybrid neural network learning approaches for designing pharmaceutical drugs
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...
Ajith Abraham, Crina Grosan, Stefan Tigan
GECCO
2000
Springer
127views Optimization» more  GECCO 2000»
13 years 8 months ago
Evolving Molecules for Drug Design Using Genetic Algorithms via Molecular Trees
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...
Gerard Kian-Meng Goh, James A. Foster