Description
computational chemistry data (very complex; need to be an expert to understand and use.
This dataset is associated with the following publication:
Lee, S., and M. Barron. 3D-QSAR Study of Steroidal and Azaheterocyclic Human Aromatase Inhibitors using Quantitative Profile of Protein-Ligand Interactions. Journal of Cheminformatics. Springer, New York, NY, USA, 10(2): 1-13, (2018).
Resources
| Name | Format | Description | Link |
|---|---|---|---|
| data for Fig 3 Coordination Descriptors.xlsx | XLS | data%20for%20Fig%203%20Coordination%20Descriptors.xlsx | Open resource |
| data for Figures 2 3 6 7 Aromatase_steroidAza_result.xlsx | XLS | data%20for%20Figures%202%203%206%207%20Aromatase_steroidAza_result.xlsx | Open resource |
| data for Figures 2 3 6 7 Aromatase_steroid_result.xlsx | XLS | data%20for%20Figures%202%203%206%207%20Aromatase_steroid_result.xlsx | Open resource |
| supplemental material data.xlsx | XLS | supplemental%20material%20data.xlsx | Open resource |
| Table 2 and 3 data Machine Learning Result.xlsx | XLS | Table%202%20and%203%20data%20Machine%20Learning%20Result.xlsx | Open resource |