Spectral Annotation Novelty Index
A molecular network-based chemical novelty index for prioritizing samples using untargeted metabolomics in natural products discovery
IQ is a molecular network-based chemical novelty index developed for prioritizing strains according to the probability of finding novel chemistry using molecular networks. IQ uses three key network metrics: Library match score (MQS) for annotated nodes, cosine values between annotated and unannotated nodes (COS), and the proportion of unannotated nodes.
Project in collaboration with Professor Cuauhtémoc Licona-Cassani from Tecnológico de Monterrey.