Symmetry considerations in Markovian chemicals 'in silico' design (MARCH-INSIDE) I: central chirality codification, classification of ACE inhibitors and prediction of \sigma-receptor antagonist activities.
Humberto González DíazIvan Hernández SánchezEugenio UriarteLourdes SantanaPublished in: Comput. Biol. Chem. (2003)
Keyphrases
- wet lab
- pattern recognition
- design decisions
- classification systems
- support vector machine
- user interface
- text classification
- automatic classification
- classification accuracy
- machine learning methods
- machine learning
- learning algorithm
- case study
- classification scheme
- pattern classification
- computer aided
- data sets
- feature vectors
- design process
- active learning
- support vector machine svm
- human activities
- training samples
- face recognition
- collaborative learning
- software development