Comparative Analysis of pKa Predictions for Arsonic Acids Using Density Functional Theory-Based and Machine Learning Approaches

Published February 12, 2025 | Version v1

Publication Open

The presented files are based on the recently published qwork for developing a predictio methods for pKa for the set of Arsonic acids.

Files

Name	Size	Download all
Descriptors_list_Arsomic.txt md5:9cc5b05e8168728bf52817df51bfedcd	27.9 kB	Preview Download
pKa_Alpha_Scaling.xlsx md5:b3dcc55a358e6fdb321a45670c9c7727	55.9 kB	Download

Swiss National Science Foundation
NCCR Bio-Inspired Materials: Center for Bio-Inspired Stimuli-Responsive Materials (phase I) 141849

101

Views

Downloads

Show more details

DOI

Resource type

Publication

Publisher

Zenodo

Published in

ACS Omega, 10(3), 2025.

License: Creative Commons Attribution 4.0 International

The Creative Commons Attribution license allows re-distribution and re-use of a licensed work on the condition that the creator is appropriately credited. Read more