ZINC20—A Free Ultralarge-Scale Chemical Database for Ligand Discovery-Reference-Cited by-同舟云学术

ZINC20—A Free Ultralarge-Scale Chemical Database for Ligand Discovery

Published:2020-10-29 Issue:12 Volume:60 Page:6065-6073
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Irwin John J.¹^ORCID,Tang Khanh G.¹,Young Jennifer¹,Dandarchuluun Chinzorig¹,Wong Benjamin R.¹,Khurelbaatar Munkhzul¹,Moroz Yurii S.²³,Mayfield John⁴^ORCID,Sayle Roger A.⁴

Affiliation:

1. Byers Hall, Department of Pharmaceutical Chemistry, University of California San Francisco, 1700 4th St, Mailcode 2330, Room BH508A, San Francisco, California 94158-2330, United States

2. Chemspace LLC, 85 Chervonotkatska Street, Suite 1, Kyiv 02094, Ukraine

3. Taras Shevchenko National University of Kyiv, Volodymyrska Street 60, Kyiv 01601, Ukraine

4. NextMove Software Ltd, Innovation Centre, 320 Cambridge Science Park, Milton Road, Cambridge CB4 0WG, United Kingdom

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00675

Reference15 articles.

1. Ultra-large library docking for discovering new chemotypes

2. Virtual discovery of melatonin receptor ligands to modulate circadian rhythms

3. ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

4. ZINC: A Free Tool to Discover Chemistry for Biology

5. ZINC 15 – Ligand Discovery for Everyone

Cited by 423 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. Molecular representation learning based on Transformer with fixed-length padding method;Journal of Molecular Structure;2025-01

2. AnoChem: Prediction of chemical structural abnormalities based on machine learning models;Computational and Structural Biotechnology Journal;2024-12

3. Conf-GEM: A geometric information-assisted direct conformation generation model;Artificial Intelligence Chemistry;2024-12

4. Progress in the application of artificial intelligence in molecular generation models based on protein structure;European Journal of Medicinal Chemistry;2024-11

5. Discovery and characterization of small-molecule TGR5 ligands with agonistic activity;European Journal of Medicinal Chemistry;2024-10