How to acquire new biological activities in old compounds by computer prediction.

Vladimir Poroikov Dmitrii Filimonov

Published in: J. Comput. Aided Mol. Des. (2002)

Keyphrases

drug discovery
prediction accuracy
computer systems
experimental data
human activities
molecular biology
activity recognition
cell lines
molecular structure
drug design
prediction model
prediction error
data mining
real time
computer technology
data analysis
feature selection
prediction algorithm
machine learning