Kernel Methods in Chemoinformatics

Author(s):  
Huma Lodhi

Millions of people are suffering from fatal diseases such as cancer, AIDS, and many other bacterial and viral illnesses. The key issue is now how to design lifesaving and cost-effective drugs so that the diseases can be cured and prevented. It would also enable the provision of medicines in developing countries, where approximately 80% of the world population lives. Drug design is a discipline of extreme importance in chemoinformatics. Structure-activity relationship (SAR) and quantitative SAR (QSAR) are key drug discovery tasks.

RSC Advances ◽  
2015 ◽  
Vol 5 (42) ◽  
pp. 33058-33066 ◽  
Author(s):  
Bao Tu ◽  
Zhi-Feng Chen ◽  
Zhi-Juan Liu ◽  
Li-Yang Cheng ◽  
Yan-Jun Hu

The structure–activity relationship of the different flavones has been investigated, which may meaningful for drug discovery, and novel drug design.


2019 ◽  
Vol 11 (22) ◽  
pp. 2919-2973 ◽  
Author(s):  
Li-Wen Xia ◽  
Meng-Yu Ba ◽  
Wei Liu ◽  
Weyland Cheng ◽  
Chao-Ping Hu ◽  
...  

Current traditional drugs such as enzyme inhibitors and receptor agonists/antagonists present inherent limitations due to occupancy-driven pharmacology as the mode of action. Proteolysis targeting chimeras (PROTACs) are composed of an E3 ligand, a connecting linker and a target protein ligand, and are an attractive approach to specifically knockdown-targeted proteins utilizing an event-driven mode of action. The length, hydrophilicity and rigidity of connecting linkers play important role in creating a successful PROTAC. Some PROTACs with a triazole linker have displayed promising anticancer activity. This review provides an overview of PROTACs with a triazole scaffold and discusses its structure–activity relationship. Important milestones in the development of PROTACs are addressed and a critical analysis of this drug discovery strategy is also presented.


Author(s):  
L. M. Sintserov

The article deals with international migration during the last decades of the 20th and at the beginning of the 21st centuries and its economic-geographical analysis. The paper provides an overview of opinions about the dating of the contemporary era of global migration. It is shown that only after completion of spatial restructuring of migration processes and with the transition to sustainable growth of the share of international migrants in the world population, the modern increase of migration begins. On the basis of the UN statistics the main sources of migrants to the countries of Western Europe have been determined as well as shifts in the geographical structure of migrant population of the region that have taken place in the last quarter of a century. Two migration waves directed to the core of the European region from its southern and then from the eastern periphery are determined. The transformation of the USA population structure caused by the migration inflow from Latin America and Asia is described. The ratio of the main directions of global migration is shown: South-South, South-North, etc. At the same time, it is noted that a rather limited part of international migrations is associated with the asynchrony of demographic processes in the regions of the world. The article also discusses the remittances of migrants from developing countries to their homeland, forming powerful financial flows, which are second only to foreign direct investment. They play an especially important role in the economies of developing countries. The calculations show that the contribution of international migrants to the world economy far exceeds their share in the world population.


Ultimately, the necessity to supply food, energy, habitat, infrastructure, and consumer goods for the ever-growing population is responsible for the demise of the environment. Remedial actions for pollution abatement, and further technological progress toward energy efficiency, development of new crops, and improvements in manufacturing processes may help to mitigate the severity of environmental deterioration. However, we can hardly hope for restoration of a clean environment, improvement in human health, and an end to poverty without arresting the continuous growth of the world population. According to the United Nations count, world population reached 6 billion in mid October 1999 (1). The rate of population growth and the fertility rates by continent, as well as in the United States and Canada, are presented in Table 14.1. It can be seen that the fastest population growth occurs in the poorest countries of the world. Despite the worldwide decrease in fertility rates between 1975–80 period and that of 1995–2000, the rate of population growth in most developing countries changed only slightly due to the demographic momentum, which means that because of the high fertility rates in the previous decades, the number of women of childbearing age had increased. Historically, the preference for large families in the developing nations was in part a result of either cultural or religious traditions. In some cases there were practical motivations, as children provided helping hands with farm chores and a security in old age. At present the situation is changing. A great majority of governments of the developing countries have recognized that no improvement of the living standard of their citizens will ever be possible without slowing the explosive population growth. By 1985, a total of 70 developing nations had either established national family planning programs, or provided support for such programs conducted by nongovernmental agencies; now only four of the world’s 170 countries limit access to family planning services. As result, 95% of the developing world population lives in countries supporting family planning. Consequently, the percentage of married couples using contraceptives increased from less than 10% in 1960 to 57% in 1997.


Machines ◽  
2020 ◽  
Vol 8 (3) ◽  
pp. 49
Author(s):  
Anna Boschi ◽  
Francesco Salvetti ◽  
Vittorio Mazzia ◽  
Marcello Chiaberge

The vital statistics of the last century highlight a sharp increment of the average age of the world population with a consequent growth of the number of older people. Service robotics applications have the potentiality to provide systems and tools to support the autonomous and self-sufficient older adults in their houses in everyday life, thereby avoiding the task of monitoring them with third parties. In this context, we propose a cost-effective modular solution to detect and follow a person in an indoor, domestic environment. We exploited the latest advancements in deep learning optimization techniques, and we compared different neural network accelerators to provide a robust and flexible person-following system at the edge. Our proposed cost-effective and power-efficient solution is fully-integrable with pre-existing navigation stacks and creates the foundations for the development of fully-autonomous and self-contained service robotics applications.


2019 ◽  
Vol 11 (15) ◽  
pp. 1929-1952 ◽  
Author(s):  
Adileh Ayati ◽  
Saeed Emami ◽  
Setareh Moghimi ◽  
Alireza Foroumadi

Cancer is known as one of the main causes of death in the world; and many compounds have been synthesized to date with potential use in cancer therapy. Thiazole is a versatile heterocycle, found in the structure of many drugs in use as well as anticancer agents. This review provides an overview of recent advances in thiazole-bearing compounds as anticancer agents with particular emphasis on their mechanism of action in cancerous cells. Chemical designs, structure–activity relationships and relevant preclinical properties have been comprehensively described.


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