Improved Selection of Rare Reactions in Template-Based Retrosynthesis Predictions

Identifying synthetic routes for molecules of interest is a crucial step when discovering new drugs or materials. To find synthetic routes, we can use computer-assisted synthesis planning using expansion policy networks trained on reaction templates extracted from patents and the literature. However, experience has shown that these networks are biased towards frequently reported reactions. This study shows that changing the molecular representation from an extended-connectivity fingerprint to a simple graph representation can increase the accuracy for templates used less than five times by 5.0- 8.5% points. We also illustrate that a simple oversampling of the training set yielded a top-1 accuracy increase in the 17-20% point range for templates used five times or less.

A Critical Assessment of the Value of Top-Down and Bottom-Up Public Policy Implementation Theories, with Reference to the Case of Implementation of Passport Seva: An eGovernance Policy in India

What are the challenges in public policy processes? Why do some critical public problems not carry to the agenda-setting of policy-making, or even if carried, they fail during implementation? One of the responses to these queries is that policy-making often happens in a complex, dynamic, sociopolitical environment where there are overarching structures above the policy makers and there are competing actors, ideas, groups, policy networks, institutions and policy subsystem that interact with unequal power and conflicting interests (Sanderson, 2009). It is thus realised that the systematic study of public policy is significant for bringing progressive change in society. Hence it is required to build new knowledge and to improve upon the working of public policy. This article will study the value of the top down and bottom up theories in the case of implementation of a new eGovernance policy on passport issuance in India. The findings are that due to resistance from different stakeholders, the project could be implemented only after certain bottom up changes to the policy along with change management strategies.

Networks

Social scientists study many different types of networks, from policy networks to sociotechnical networks, in order to better understand processes of change. These diverse networks have a number of characteristics in common, including interconnectedness, flows, and fragility. Exploring these characteristics in relation to smart grids helps us to better understand the social nature of energy sector innovation. In this chapter, I use these themes and concepts to assess three examples: international smart grid policy networks; a local community network on Bruny Island, Australia; and a fragile network, the digital metering programme in the State of Victoria, Australia.

Policy Networks: Actors, Interests, and Power Relations in the Jakarta Bay Reclamation Project

This case study seeks to understand the policy-making of the Jakarta bay reclamation project through the analytical lens of the policy networks. It posits that different policy networks would possibly produce or condition different policy outcomes in the project. The study uses a qualitative secondary data analysis. The study found: First, policy changes in the project, from initiation to implementation and finally termination, might be explained through the formation and transformation of different types of policy networks. Overall, the networks were characterized by fluctuating interactions among actors and the persistent power struggle between economic, environmental, and societal interests. Second, the networks’ type changes were possible due to two factors: (1) the political context of the 2017 gubernatorial election; and (2) the influences of environmental and societal ideas. Studi kasus ini berupaya untuk memahami pembuatan kebijakan proyek reklamasi teluk Jakarta melalui lensa analitik policy networks. Studiiniberasumsi bahwa jenis policy networksyang berbeda mungkin akan menghasilkan atau mengkondisikan hasil kebijakan yang berbeda dalam proyektersebut. Hasil studi ini menemukanbeberapatemuan. Pertama, perubahan kebijakan dalam proyek, dari inisiasi hingga implementasi dan akhirnya penghentian, dapat dijelaskan melalui pembentukan dan transformasi berbagai jenis policy networks. Secara keseluruhan, networkstersebutditandai oleh interaksi yang berfluktuasi di antara para aktor dan perebutan kekuasaan yang terus-menerus antara kepentingan ekonomi dan lingkungan dan masyarakat. Kedua, perubahan jenis networks tersebut kemungkinan disebabkan oleh dua faktor: (1) konteks politik Pilgub 2017; dan (2) pengaruh gerakanpemikiran lingkungan dan sosial.

Emerging Pillars for IWRM Implementation In Bangladesh

Since the early 1990s, the IWRM approach has been performing for improving the water sector through minimising the water crisis in Bangladesh. Therefore, Bangladesh has developed three pillars (e.g., enabling environment, institutional arrangement, management instruments, etc.) favouring IWRM to meet the desired goal. Despite the ability to adequately address the cross-cutting and multiple issues of the water sector of Bangladesh, the IWRM approach is getting more complex day by day because the steps taken under the pillars may not work correctly. Given above, an attempt has been made to analyse how the existing contradictions in IWRM pillars (designed by Bangladesh) affect IWRM effectiveness. Using document analysis and semi-structured interviews, this paper provides an understanding of existing inconsistencies of IWRM pillars and the necessity of enhancing IWRM pillars for increasing IWRM implementation effectiveness in Bangladesh. The implementation challenges of the policy networks (policy, plan, strategy etc.) and implementation networks (water projects) made to ensure enabling environment affect IWRM effectiveness. Institutional power and responsibility are not defined in the policy rules and regulations correctly, causing problems in the institutional arrangement, which has affected IWRM effectiveness. Database related issues about the management instruments are also responsible in this regard. Necessary strategies and measures as per network management are recommended to enhance IWRM tools by resolving irregularities and improving IWRM effectiveness in Bangladesh.

Transnational Policy Networks and Change Through Internationalization (The Record of Project 5-100)

This article considers the ideational and political contexts in which Project 5-100, the Russian excellence in higher education initiative emerged, as well as the specificities of its organisational and behavioural model. While Project 5-100 has been studied in the academic literature as regards its efficiency and how it affected the performance and inner workings of the participating universities, the question of how the project came about and the characteristic traits of its internal set-up still remain largely overlooked. The study focuses on the involvement of local and international players, arguing that their successful and organic cooperation influenced both the architecture and the implementation of the project. This paper contributes to the literature on policy networks by showing that transnational actors do not necessarily undermine or challenge state power and can on the contrary help governments implement systemic change. Inspired by the international experience of establishing world-class universities, Project 5-100 was conceived and lobbied by a small but influential group of visionaries pushing for change who – acting in a concerted and purposive manner – acquired a novel and powerful capacity to use international expertise for the development of a key national project, capable of deeply transforming the country’s higher educational system.