Artificial Intelligence: A Novel Approachfor Drug Discovery

被引：21

作者：

Diaz, Oscar ^{[1
,2
,3
,4
]}

Dalton, James A. R. ^{[1
,2
,3
,4
]}

Giraldo, Jesus ^{[1
,2
,3
,4
]}

机构：

[1] Univ Autonoma Barcelona, Unitat Bioestadist, Lab Mol Neuropharmacol & Bioinformat, Bellaterra 08193, Spain

[2] Univ Autonoma Barcelona, Inst Neurociencies, Bellaterra 08193, Spain

[3] Inst Salud Carlos III, Ctr Invest Biomed Red Salud Mental, CIBERSAM, Bellaterra 08193, Spain

[4] Univ Autonoma Barcelona, Inst Neurociencies, I3PT, Unitat Neurociencia Traslac,Parc Tauli Hosp Univ, Bellaterra 08193, Spain

来源：

TRENDS IN PHARMACOLOGICAL SCIENCES | 2019年 / 40卷 / 08期

关键词：

MOLECULAR-DYNAMICS;

D O I：

10.1016/j.tips.2019.06.005

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

Molecular dynamics (MD) simulations can mechanistically explain receptor function. However, the enormous data sets that they may imply can be a hurdle. Plante and colleagues (Molecules, 2019) recently described a machine learning approach to the analysis of MD simulations. The approach successfully classified ligands and identified functional receptor motifs and thus it seems promising for mechanism-based drug discovery.

引用

页码：550 / 551

页数：2

共 50 条

[41] Artificial intelligence for high content imaging in drug discovery
Carreras-Puigvert, Jordi
Spjuth, Ola
[J]. CURRENT OPINION IN STRUCTURAL BIOLOGY, 2024, 87
[42] Artificial intelligence for drug discovery and in Alzheimer's disease
Qiu, Yunguang
Cheng, Feixiong
[J]. CURRENT OPINION IN STRUCTURAL BIOLOGY, 2024, 85
[43] Artificial Intelligence in Drug Discovery: Into the Great Wide Open
Bajorath, Jurgen
Kearnes, Steven
Walters, W. Patrick
Meanwell, Nicholas A.
Georg, Gunda I.
Wang, Shaomeng
[J]. JOURNAL OF MEDICINAL CHEMISTRY, 2020, 63 (16) : 8651 - 8652
[44] Artificial intelligence in cancer target identification and drug discovery
Yujie You
Xin Lai
Yi Pan
Huiru Zheng
Julio Vera
Suran Liu
Senyi Deng
Le Zhang
[J]. Signal Transduction and Targeted Therapy, 7
[45] Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence
Moreira-Filho, Jose T.
Silva, Arthur C.
Dantas, Rafael F.
Gomes, Barbara F.
Souza Neto, Lauro R.
Brandao-Neto, Jose
Owens, Raymond J.
Furnham, Nicholas
Neves, Bruno J.
Silva-Junior, Floriano P.
Andrade, Carolina H.
[J]. FRONTIERS IN IMMUNOLOGY, 2021, 12
[46] Artificial Intelligence for Computer-Aided Drug Discovery
Kate, Aditya
Seth, Ekkita
Singh, Ananya
Chakole, Chandrashekhar Mahadeo
Chauhan, Meenakshi Kanwar
Singh, Ravi Kant
Maddalwar, Shrirang
Mishra, Mohit
[J]. DRUG RESEARCH, 2023, 73 (07) : 369 - 377
[47] The Potential Applications of Artificial Intelligence in Drug Discovery and Development
Farghali, Hassan
Kutinova Canova, Nikolina
Arora, Mahak
[J]. PHYSIOLOGICAL RESEARCH, 2021, 70 : S715 - S722
[48] Will Artificial Intelligence for Drug Discovery Impact Clinical Pharmacology?
Zhavoronkov, Alex
Vanhaelen, Quentin
Oprea, Tudor I.
[J]. CLINICAL PHARMACOLOGY & THERAPEUTICS, 2020, 107 (04) : 780 - 785
[49] Exploring Artificial Intelligence in Drug Discovery: A Comprehensive Review
Bijral, Rajneet Kaur
Singh, Inderpal
Manhas, Jatinder
Sharma, Vinod
[J]. ARCHIVES OF COMPUTATIONAL METHODS IN ENGINEERING, 2022, 29 (04) : 2513 - 2529
[50] Integrating Artificial Intelligence for Drug Discovery in the Context of Revolutionizing Drug Delivery
Visan, Anita Ioana
Negut, Irina
[J]. LIFE-BASEL, 2024, 14 (02):

← 1 2 3 4 5 →