Substructure similarity search is to retrieve graphs that approximately contain a given query graph. It has many applications, e.g., detecting similar functions among chemical com...
In biological applications, the tandem mass spectrometry is a widely used method for determining protein and peptide sequences from an ”in vitro” sample. The sequences are not...
Current search engines do not support user searches for chemical entities (chemical names and formulae) beyond simple keyword searches. Usually a chemical molecule can be represen...
Often scientists seek to search for articles on the Web related to a particular chemical. When a scientist searches for a chemical formula using a search engine today, she gets ar...
Bingjun Sun, Qingzhao Tan, Prasenjit Mitra, C. Lee...