Melnikov_etal_Hard and Soft Acid and Base Characterization of 100 Chemicals

OwnerUnited State Environmental Protection Agency - view all

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Overview

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).

adducts hsab in silico neurotoxicity

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dcat_modified2020-04-22

dcat_publisher_nameU.S. EPA Office of Research and Development (ORD)

guidhttps://doi.org/10.23719/1504235

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