Development of biologically active compounds by combining 3D QSAR and structure-based design methods.
Wolfgang SipplPublished in: J. Comput. Aided Mol. Des. (2002)
Keyphrases
- rapid prototyping
- benchmark datasets
- architectural design
- design considerations
- statistical methods
- knowledge based systems
- machine learning methods
- design methodology
- design principles
- development process
- software architecture
- design process
- case study
- genetic algorithm
- computer aided
- network structure
- empirical studies
- software engineering
- significant improvement
- preprocessing
- experimental design
- feature selection
- information systems