20 search results - page 1 / 4 » Prediction of Molecular Bioactivity for Drug Design Using a ... |
DIS
2003
Springer
13 years 10 months ago
2003
Springer
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...
GECCO
2000
Springer
13 years 8 months ago
2000
Springer
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...
IDA
2003
Springer
13 years 10 months ago
2003
Springer
The main task of drug discovery is to find novel bioactive molecules, i.e., chemical compounds that, for example, protect human cells against a virus. One way to support solving t...
JCC
2007
13 years 4 months ago
2007
: It has tremendous values for both drug discovery and basic research to develop a solid bioinformatical tool for guiding peptide reagent design. Based on the physical and chemical...
EDBT
2012
ACM
11 years 7 months ago
2012
ACM
Increased availability of large repositories of chemical compounds has created new challenges and opportunities for the application of data-mining and indexing techniques to probl...