Melnikov_etal_Hard and Soft Acid and Base Characterization of 100 Chemicals
Description
Characterization of 100 chemicals for electrophillic potential using Hard and Soft Acid and Bases theory. The chemicals were ranked for electrophillic potential and a group of chemicals within a range of electrophillic values were identified as having properties similar to other neurotoxicants.
This dataset is associated with the following publication:
Melnikov, F., B. Geohagen, T. Gavin, R. LoPachin, P. Anastas, P. Coish, and D. Herr. Application of the Hard and Soft, Acids and Bases (HSAB) Theory as a Method to Predict Cumulative Neurotoxicity. NEUROTOXICOLOGY. Elsevier B.V., Amsterdam, NETHERLANDS, 79: 95-103, (2020).
Resources
| Name |
Format |
Description |
Link |
|
57 |
Melinikov_Gavin_DataFiles_r1.zip |
https://pasteur.epa.gov/uploads/10.23719/1504235/Melinikov_Gavin_DataFiles_r1.zip |
Tags
- hsab
- neurotoxicity
- adducts
- in-silico