Search

Categories

Biological and Medicinal Chemistry

(1)

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(2)

Last 6 months

(1)

Keywords

Model interpretability

Authors

2 results in Keywords: Model interpretability

Biological and Medicinal Chemistry

Interpretable deep-learning pKa prediction for small molecule drugs via atomic sensitivity analysis

Joseph DeCorte, Benjamin Brown, Jens Meiler

Version 1 posted 12 June 2024

285

Downloads

Organic Chemistry

Improve retrosynthesis planning with a molecular editing language

Jiacheng Xiong, Wei Zhang, Zunyun Fu, Jiatao Huang, Xiangtai Kong, Yitian Wang, Zhaoping Xiong, Mingyue Zheng

Version 1 posted 26 December 2023

820

Downloads