0000000001323263
AUTHOR
Stephen Barigye
MOESM1 of QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations
Additional file 1. The mathematical definitions of the norms, means and statistical invariants as generalizations of the linear combination of LOVIs as global (and/or local) MDs aggregation operator, as well as classical algorithms which generalize the first three groups are presented as Figure SI1-Table S12. The UML diagram (Figure SI3), a debug report file content (Figure SI4), a batch process manager dialog window (Figure SI5) are also listed. Some results of the factor analysis by the principal component method are shown as Table SI6-Table SI8, and finally, the names of structures for Cramer’s steroid database and their corresponding values for the binding affinity to the corticosteroid…
Data for: Predictive modeling of aryl hydrocarbon receptor (AhR) agonism
Data base and python script for AhR Agonism modeling THIS DATASET IS ARCHIVED AT DANS/EASY, BUT NOT ACCESSIBLE HERE. TO VIEW A LIST OF FILES AND ACCESS THE FILES IN THIS DATASET CLICK ON THE DOI-LINK ABOVE