Saagar–A New, Extensible Set of Molecular Substructures for QSAR/QSPR and Read-Across Predictions
- Resource Type
- Authors
- Vijay K Gombar; Alexander Sedykh; Ruchir R. Shah; Scott S. Auerbach; Nicole Kleinstreuer
- Source
- Chemical Research in Toxicology. 34:634-640
- Subject
- 0303 health sciences
Quantitative structure–activity relationship
Computer science
business.industry
General Medicine
010501 environmental sciences
Toxicology
Machine learning
computer.software_genre
01 natural sciences
Set (abstract data type)
03 medical and health sciences
Artificial intelligence
business
computer
030304 developmental biology
0105 earth and related environmental sciences
Interpretability
- Language
- ISSN
- 1520-5010
0893-228X
Molecular structure-based predictive models provide a proven alternative to costly and inefficient animal testing. However, due to a lack of interpretability of predictive models built with abstrac...