AIMC Topic: Principal Component Analysis

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QSAR Analysis of Some Antagonists for p38 map kinase Using Combination of Principal Component Analysis and Artificial Intelligence.

Combinatorial chemistry & high throughput screening Jan 1, 2015
Quantitative relationships between structures of a set of p38 map kinase inhibitors and their activities were investigated by principal component regression (PCR) and principal componentartificial neural network (PC-ANN). Latent variables (called com...
Artificial Intelligence Principal Component Analysis p38 Mitogen-Activated Protein Kinases Models, Biological Inhibitory Concentration 50 Enzyme Inhibitors Quantitative Structure-Activity Relationship
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A lazy learning-based QSAR classification study for screening potential histone deacetylase 8 (HDAC8) inhibitors.

SAR and QSAR in environmental research Jan 1, 2015
Histone deacetylases 8 (HDAC8) is an enzyme repressing the transcription of various genes including tumour suppressor gene and has already become a target of human cancer treatment. In an effort to facilitate the discovery of HDAC8 inhibitors, two qu...
Machine Learning Drug Discovery Principal Component Analysis Models, Chemical Molecular Dynamics Simulation Databases, Chemical Quantitative Structure-Activity Relationship Histone Deacetylase Inhibitors Histone Deacetylases
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