Designed with interactome-based deep learning

Xueying Mao

doi:10.1038/s41589-024-01754-7

2024-10-18

PRE

Xueying Mao

Yanyi Chu

Dong‐Qing Wei *

DOI：10.1038/s41589-024-01754-7

原文链接

摘要

En 中文

Predicting prospective drug-like molecules quickly and accurately is a considerable challenge for de novo drug design. An interactome-based deep learning method has been developed that outperforms standard chemical language models.

期刊

Nature Chemical Biology

IF:

13.7

论文数:

4.8K

被引数:

3.3W

机构

princeton university

学者数:

2.4K

论文数: 923

被引数: 0

Shanghai Jiao Tong University

学者数:

9.9K

论文数: 2.9K

被引数: 0

引用论文

Prospective de novo drug design with deep interactome learning

NATURE COMMUNICATIONS

IF15.7

2024-04-22

OAAI

Atz, Kenneth; Cotos, Leandro; Isert, Clemens; Hakansson, Maria; Focht, Dorota; Hilleke, Mattis; Nippa, David F.; Iff, Michael; Ledergerber, Jann; Schiebroek, Carl C. G.; Romeo, Valentina; Hiss, Jan A.; Merk, Daniel; Schneider, Petra; Kuhn, Bernd; Grether, Uwe; Schneider, Gisbert

The mechanisms of action of PPARs Ppar的作用机制

annual review of psychology

IF22.1

2002-02-01

2.4K

PREAI

Berger, J; Moller, DE

Computer-based de novo design of drug-like molecules 基于计算机的类药物分子的从头设计

NATURE REVIEWS DRUG DISCOVERY

IF101.8

2005-08-01

745

PREAI

Schneider, G; Fechner, U

ChEMBL: towards direct deposition of bioassay data ChEMBL: 走向生物测定数据的直接沉积

NUCLEIC ACIDS RESEARCH

IF13.1

2018-11-06

1.3K

OAAI

Mendez, David; Gaulton, Anna; Bento, A. Patricia; Chambers, Jon; De Veij, Marleen; Felix, Eloy; Magarinos, Maria Paula; Mosquera, Juan F.; Mutowo, Prudence; Nowotka, Michal; Gordillo-Maranon, Maria; Hunter, Fiona; Junco, Laura; Mugumbate, Grace; Rodriguez-Lopez, Milagros; Atkinson, Francis; Bosc, Nicolas; Radoux, ChrisJ; Segura-Cabrera, Aldo; Hersey, Anne; Leach, Andrew R.

Transformer neural network for protein-specific de novo drug generation as a machine translation problem 用于蛋白质特异性从头生成药物的Transformer神经网络作为机器翻译问题

SCIENTIFIC REPORTS

IF3.9

2021-01-11

113

OAAI

Grechishnikova, Daria

Verapamil therapy of atrial fibrillation and atrial flutter following cardiac operation 维拉帕米治疗心脏手术后心房颤动和心房扑动

The Journal of Thoracic and Cardiovascular Surgery

IF0

1982-04-01

OAAI

Vance J. Plumb; Robert B. Karp; Nicholas T. Kouchoukos; George L. Zorn; Thomas N. James; Albert L. Waldo

Rethinking drug design in the artificial intelligence era 人工智能时代的药物设计再思考

NATURE REVIEWS DRUG DISCOVERY

IF101.8

2019-12-04

405

OAAI

Schneider, Petra; Walters, W. Patrick; Plowright, Alleyn T.; Sieroka, Norman; Listgarten, Jennifer; Goodnow, Robert A., Jr.; Fisher, Jasmin; Jansen, Johanna M.; Duca, Jose S.; Rush, Thomas S.; Zentgraf, Matthias; Hill, John Edward; Krutoholow, Elizabeth; Kohler, Matthias; Blaney, Jeff; Funatsu, Kimito; Luebkemann, Chris; Schneider, Gisbert

Chemical Space Mimicry for Drug Discovery

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2017-04-03

OAAI

Yuan, William; Jiang, Dadi; Nambiar, Dhanya K.; Liew, Lydia P.; Hay, Michael P.; Bloomstein, Joshua; Lu, Peter; Turner, Brandon; Le, Quynh-Thu; Tibshirani, Robert; Khatri, Purvesh; Moloney, Mark G.; Koong, Albert C.

Leveraging molecular structure and bioactivity with chemical language models for de novo drug design

NATURE COMMUNICATIONS

IF15.7

2023-01-07

OAAI

Moret, Michael; Pachon Angona, Irene; Cotos, Leandro; Yan, Shen; Atz, Kenneth; Brunner, Cyrill; Baumgartner, Martin; Grisoni, Francesca; Schneider, Gisbert

没有更多内容