Bioisosteric Similarity of Molecules Based on Structural Alignment and Observed Chemical Replacements in Drugs.
Markus KrierMichael C. HutterPublished in: J. Chem. Inf. Model. (2009)
Keyphrases
- virtual screening
- drug discovery
- chemical compounds
- structural similarities
- similarity measure
- protein structure alignment
- pharmaceutical industry
- similarity searching
- semantic similarity
- chemical reactions
- distance measure
- sequence similarity
- structural information
- structural similarity
- high throughput
- structural features
- euclidean distance
- binding sites
- sequence alignment
- similarity measurement
- similarity metric
- similarity metrics
- similarity function
- rna sequences
- neural network