Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches.
Johannes KirchmairStojanka RisticKathrin EderPatrick MarktGerhard WolberChristian LaggnerThierry LangerPublished in: J. Chem. Inf. Model. (2007)
Keyphrases
- computational efficiency
- computationally efficient
- efficient computation
- object recognition
- data sets
- neural network
- drug discovery
- cost effective
- numerical stability
- real time
- computational complexity
- knowledge discovery
- data structure
- image segmentation
- computationally expensive
- solution quality
- strengths and weaknesses
- search engine
- learning algorithm
- information retrieval