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Artificial Intelligence in Pharmaceutical Sciences Review

Mingkun Lu, Jiayi Yin, Qi Zhu, Gaole Lin, Minjie Mou, Fuyao Liu, Ziqi Pan, Nanxin You, Xichen Lian, Fengcheng Li, Hongning Zhang, Lingyan Zheng, Wei Zhang, Hanyu Zhang, Zihao Shen, Zhen Gu, Honglin Li, Feng Zhu

Engineering 2023, Volume 27, Issue 8,   Pages 37-69 doi: 10.1016/j.eng.2023.01.014

Abstract:

Drug discovery and development affects various aspects of human health and dramatically impacts theThis review begins with a brief overview of common AI models in the field of drug discovery; then, itsummarizes and discusses in depth their specific applications in various stages of drug R&D, such as targetdiscovery, drug discovery and design, preclinical research, automated drug synthesis, and influences

Keywords： Artificial intelligence     Machine learning     Deep learning     Target identification     Target discovery     Drugdesign     Drug discovery    

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HIGH-PERFORMANCE COMPUTATION AND ARTIFICIAL INTELLIGENCE IN PESTICIDE DISCOVERY: STATUS AND OUTLOOK

Frontiers of Agricultural Science and Engineering 2022, Volume 9, Issue 1,   Pages 150-154 doi: 10.15302/J-FASE-2021419

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Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy

Lei WANG, Jing LIU

Frontiers in Energy 2013, Volume 7, Issue 3,   Pages 317-332 doi: 10.1007/s11708-013-0271-9

Abstract: As the basis of modern industry, the roles materials play are becoming increasingly vital in this day and age. With many superior physical properties over conventional fluids, the low melting point liquid metal material, especially room-temperature liquid metal, is recently found to be uniquely useful in a wide variety of emerging areas from energy, electronics to medical sciences. However, with the coming enormous utilization of such materials, serious issues also arise which urgently need to be addressed. A biggest concern to impede the large scale application of room-temperature liquid metal technologies is that there is currently a strong shortage of the materials and species available to meet the tough requirements such as cost, melting point, electrical and thermal conductivity, etc. Inspired by the Material Genome Initiative as issued in 2011 by the United States of America, a more specific and focused project initiative was proposed in this paper—the liquid metal material genome aimed to discover advanced new functional alloys with low melting point so as to fulfill various increasing needs. The basic schemes and road map for this new research program, which is expected to have a worldwide significance, were outlined. The theoretical strategies and experimental methods in the research and development of liquid metal material genome were introduced. Particularly, the calculation of phase diagram (CALPHAD) approach as a highly effective way for material design was discussed. Further, the first-principles (FP) calculation was suggested to combine with the statistical thermodynamics to calculate the thermodynamic functions so as to enrich the CALPHAD database of liquid metals. When the experimental data are too scarce to perform a regular treatment, the combination of FP calculation, cluster variation method (CVM) or molecular dynamics (MD), and CALPHAD, referred to as the mixed FP-CVM-CALPHAD method can be a promising way to solve the problem. Except for the theoretical strategies, several parallel processing experimental methods were also analyzed, which can help improve the efficiency of finding new liquid metal materials and reducing the cost. The liquid metal material genome proposal as initiated in this paper will accelerate the process of finding and utilization of new functional materials.

Keywords： liquid metal material genome     energy material     material discovery     advanced material     room-temperature liquid    

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An econometric investigation using price discovery theory

Yeli ZENG, Cong DONG, Mikael HÖÖK, Jinhua SUN, Danyang SHI

Frontiers in Energy 2020, Volume 14, Issue 4,   Pages 726-739 doi: 10.1007/s11708-020-0701-4

Abstract: reflect the average price level and market movements, but the market information transparency and price discovery

Keywords： liquefied natural gas     price index     Shanghai Petroleum and Gas Exchange     price discovery     market reforms    

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New Technology promotes the Discovery of the Tarim Natural Gas Province

Qiu Zhongjian

Strategic Study of CAE 2000, Volume 2, Issue 9,   Pages 38-41

Abstract: The discovery is a catalyst for the commencement of the project to transmit natural gas from the Tarim

Keywords： key technology     innovation     discovery     Tarim gas province    

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Symbolic representation based on trend features for knowledge discovery in long time series

Hong YIN,Shu-qiang YANG,Xiao-qian ZHU,Shao-dong MA,Lu-min ZHANG

Frontiers of Information Technology & Electronic Engineering 2015, Volume 16, Issue 9,   Pages 744-758 doi: 10.1631/FITEE.1400376

Abstract: an essential task for decision-making activities such as classification, prediction, and knowledge discoveryA time series is represented by trend symbols, which are also suitable for use in knowledge discoverybetter segmentation efficiency and classification accuracy, but also is applicable for use in knowledge discovery

Keywords： Long time series     Segmentation     Trend features     Symbolic     Knowledge discovery    

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Multi-target combinatory strategy to overcome tumor immune escape

Frontiers of Medicine 2022, Volume 16, Issue 2,   Pages 208-215 doi: 10.1007/s11684-022-0922-5

Abstract: The use of several antibody drugs that target PD1/PD-L1 for various cancer treatments has been approved

Keywords： immune checkpoints     multi-target     immune escape     immune-related adverse events     combination therapy    

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Atypical pituitary hormone–target tissue axis

Frontiers of Medicine 2023, Volume 17, Issue 1,   Pages 1-17 doi: 10.1007/s11684-022-0973-7

Abstract: A long-held belief is that pituitary hormones bind to their cognate receptors in classical target glandshave shown that multiple types of pituitary hormone receptors are widely expressed in non-classical targetgland-derived hormone exhibits a wide range of nonconventional biological effects in these non-classical targetnon-classical organs were summarized, defined by the novel concept of an “atypical pituitary hormone–targetThe continued exploration of the physiology of the “atypical pituitary hormone–target tissue axis” could

Keywords： thyroid-stimulating hormone     follicle-stimulating hormone     luteinizing hormone     adrenocorticotrophic hormone     prolactin    

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Facile discovery of red blood cell deformation and compromised membrane/skeleton assembly in Prader–Willi

Frontiers of Medicine 2022, Volume 16, Issue 6,   Pages 946-956 doi: 10.1007/s11684-022-0962-x

Abstract: Prader–Willi syndrome (PWS) is a rare congenital disease with genetic alterations in chromosome 15. Although genetic disorders and DNA methylation abnormalities involved in PWS have been investigated to a significant degree, other anomalies such as those in erythrocytes may occur and these have not been clearly elucidated. In the present study, we uncovered slight anemia in children with PWS that was associated with increased red blood cell (RBC) distribution width (RDW) and contrarily reduced hematocrit (HCT) values. Intriguingly, the increased ratio in RDW to HCT allowed sufficient differentiation between the PWS patients from the healthy controls and, importantly, with individuals exhibiting conventional obesity. Further morphologic examinations revealed a significant deformity in erythrocytes and mild hemolysis in PWS patients. Comprehensive mechanistic investigations unveiled compromised membrane skeletal assembly and membrane lipid composition, and revealed a reduced F-actin/G-actin ratio in PWS patients. We ascribed these phenotypic changes in erythrocytes to the observed genetic defects, including DNA methylation abnormalities. Our collective data allowed us to uncover RBC deformation in children with PWS, and this may constitute an auxiliary indicator of PWS in early childhood.

Keywords： Prader–Willi syndrome     early diagnosis     erythrocyte deformation     membrane skeleton     membrane lipid    

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Protein phosphatase magnesium-dependent 1δ is a novel tumor marker and target in hepatocellular carcinoma

Zhi Xu,Chunxiang Cao,Haiyan Xia,Shujing Shi,Lingzhi Hong,Xiaowei Wei,Dongying Gu,Jianmin Bian,Zijun Liu,Wenbin Huang,Yixin Zhang,Song He,Nikki Pui-Yue Lee,Jinfei Chen

Frontiers of Medicine 2016, Volume 10, Issue 1,   Pages 52-60 doi: 10.1007/s11684-016-0433-3

Abstract:  Overall, results suggest that PPM1D is a potential prognostic marker and therapeutic target

Keywords： PPM1D     hepatocellular carcinoma     prognosis     target therapy    

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Amodified variable rate particle filter for maneuvering target tracking

Yun-fei GUO,Kong-shuai FAN,Dong-liang PENG,Ji-an LUO,Han SHENTU

Frontiers of Information Technology & Electronic Engineering 2015, Volume 16, Issue 11,   Pages 985-994 doi: 10.1631/FITEE.1500149

Abstract: To address the problem of maneuvering target tracking, where the target trajectory has prolonged smoothCompared with conventional variable rate models, the proposed model does not need any prior knowledge of target

Keywords： Maneuvering target tracking     Prolonged smooth regions     Variable rate model     Maneuver detection    

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Discovery and repurposing of artemisinin

Frontiers of Medicine 2022, Volume 16, Issue 1,   Pages 1-9 doi: 10.1007/s11684-021-0898-6

Abstract: The discovery of artemisinin, inspired by traditional Chinese medicine (TCM), has brought in a paradigmHere, we will first review the initial discovery of artemisinin, an extraordinary journey that was in

Keywords： artemisinin     drug repurposing     cancer     inflammation     COVID-19     traditional Chinese medicine    

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Lightweight design of an electric bus body structure with analytical target cascading

Frontiers of Mechanical Engineering 2023, Volume 18, Issue 1, doi: 10.1007/s11465-022-0718-y

Abstract: newly developed multi-material electric bus body structure is examined in combination with analytical target

Keywords： electric vehicle     body in white (BIW)     lightweight     analytical target cascading (ATC)    

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Dynamic Target Tracking of Unmanned Aerial Vehicles Under Unpredictable Disturbances

Yanjie Chen,Yangning Wu,Limin Lan,Hang Zhong,Zhiqiang Miao,Hui Zhang,Yaonan Wang,

Engineering doi: 10.1016/j.eng.2023.05.017

Abstract: IBVS) method based on a velocity observer for an unmanned aerial vehicle (UAV) for tracking a dynamic targetthen considers the uncertainties caused by the unpredictable rotations and velocities of the dynamic targetA novel image depth model that extends the IBVS method to track a rotating target with arbitrary orientationsThe depth model ensures image feature accuracy and image trajectory smoothness in rotating target trackingThe relative velocities of the UAV and the dynamic target are estimated using the proposed velocity observer

Keywords： Unmanned aerial vehicle     Visual servoing     Velocity observer     Target tracking    

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Li Siguang and China's Big Discovery of Petroleum

Zhao Wenjing

Strategic Study of CAE 2005, Volume 7, Issue 2,   Pages 26-34

Abstract: with full historical materials, that Li Siguang made irreplaceable contribution to China's big discovery

Keywords： Li Siguang     China's oil resource     China's big discovery and development of petroleum    

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Title Author Date Type Operation

Artificial Intelligence in Pharmaceutical Sciences

Mingkun Lu, Jiayi Yin, Qi Zhu, Gaole Lin, Minjie Mou, Fuyao Liu, Ziqi Pan, Nanxin You, Xichen Lian, Fengcheng Li, Hongning Zhang, Lingyan Zheng, Wei Zhang, Hanyu Zhang, Zihao Shen, Zhen Gu, Honglin Li, Feng Zhu

Journal Article

HIGH-PERFORMANCE COMPUTATION AND ARTIFICIAL INTELLIGENCE IN PESTICIDE DISCOVERY: STATUS AND OUTLOOK

Journal Article

Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy

Lei WANG, Jing LIU

Journal Article

An econometric investigation using price discovery theory

Yeli ZENG, Cong DONG, Mikael HÖÖK, Jinhua SUN, Danyang SHI

Journal Article

New Technology promotes the Discovery of the Tarim Natural Gas Province

Qiu Zhongjian

Journal Article

Symbolic representation based on trend features for knowledge discovery in long time series

Hong YIN,Shu-qiang YANG,Xiao-qian ZHU,Shao-dong MA,Lu-min ZHANG

Journal Article

Multi-target combinatory strategy to overcome tumor immune escape

Journal Article

Atypical pituitary hormone–target tissue axis

Journal Article

Facile discovery of red blood cell deformation and compromised membrane/skeleton assembly in Prader–Willi

Journal Article

Protein phosphatase magnesium-dependent 1δ is a novel tumor marker and target in hepatocellular carcinoma

Zhi Xu,Chunxiang Cao,Haiyan Xia,Shujing Shi,Lingzhi Hong,Xiaowei Wei,Dongying Gu,Jianmin Bian,Zijun Liu,Wenbin Huang,Yixin Zhang,Song He,Nikki Pui-Yue Lee,Jinfei Chen

Journal Article

Amodified variable rate particle filter for maneuvering target tracking

Yun-fei GUO,Kong-shuai FAN,Dong-liang PENG,Ji-an LUO,Han SHENTU

Journal Article

Discovery and repurposing of artemisinin

Journal Article

Lightweight design of an electric bus body structure with analytical target cascading

Journal Article

Dynamic Target Tracking of Unmanned Aerial Vehicles Under Unpredictable Disturbances

Yanjie Chen,Yangning Wu,Limin Lan,Hang Zhong,Zhiqiang Miao,Hui Zhang,Yaonan Wang,

Journal Article

Li Siguang and China's Big Discovery of Petroleum

Zhao Wenjing

Journal Article