Interpretable Attribution Assignment for Octanol–Water Partition Coefficient
Author:
Affiliation:
1. Graduate School of Arts and Sciences, The University of Tokyo, 3-8-1 Komaba Meguro-ku, Tokyo 153-8902, Japan
Funder
Precursory Research for Embryonic Science and Technology
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c02740
Reference52 articles.
1. Robnik-Šikonja, M.; Bohanec, M. In Human and Machine Learning: Visible, Explainable, Trustworthy and Transparent; Zhou, J., Chen, F., Eds. Springer International Publishing: Cham, 2018; pp 159–175.
2. Using attribution to decode binding mechanism in neural network models for chemistry
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