Molecular Descriptors, Structure Generation, and Inverse QSAR/QSPR Based on SELFIES-Reference-Cited by-同舟云学术

Molecular Descriptors, Structure Generation, and Inverse QSAR/QSPR Based on SELFIES

Published:2023-06-05 Issue:24 Volume:8 Page:21781-21786
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Kaneko Hiromasa¹^ORCID

Affiliation:

1. Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.3c01332

Reference21 articles.

1. RDKit: Open-Source Cheminformatics Software. https://rdkit.org (accessed Nov 24, 2022).

2. Mordred: a molecular descriptor calculator

3. Alvascience. alvaDesc. https://www.alvascience.com/alvadesc/ (accessed Nov 24, 2022).

4. Extended-Connectivity Fingerprints

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A Data‐Driven Approach for Enhanced CO₂ Capture with Ruthenium Complexes;Chemistry – A European Journal;2024-09-09

2. Transformation of peptides to small molecules in medicinal chemistry: Challenges and opportunities;Acta Pharmaceutica Sinica B;2024-06

3. MDs-NP: a property prediction model construction procedure for naphtha based on molecular dynamics simulation;Journal of Physics: Condensed Matter;2024-05-10

4. De novo drug design as GPT language modeling: large chemistry models with supervised and reinforcement learning;Journal of Computer-Aided Molecular Design;2024-04-22

5. Beyond Amyloid: A Machine Learning-Driven Approach Reveals Properties of Potent GSK-3β Inhibitors Targeting Neurofibrillary Tangles;International Journal of Molecular Sciences;2024-02-24