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Drug discovery and development is a complex and costly process. Machine learning approaches are being investigated to help improve the effectiveness and speed of multiple stages of the drug discovery pipeline. Of these, those that use…

Artificial Intelligence · Computer Science 2022-09-27 Stephen Bonner , Ian P Barrett , Cheng Ye , Rowan Swiers , Ola Engkvist , Andreas Bender , Charles Tapley Hoyt , William L Hamilton

The scientific literature is a rich source of information for data mining with conceptual knowledge graphs; the open science movement has enriched this literature with complementary source code that implements scientific models. To exploit…

Machine Learning · Computer Science 2019-08-27 Kun Cao , James Fairbanks

Software citation contributes to achieving software sustainability in two ways: It provides an impact metric to incentivize stakeholders to make software sustainable. It also provides references to software used in research, which can be…

Software Engineering · Computer Science 2021-05-18 Stephan Druskat , Daniel S. Katz , Ilian T. Todorov

The term life sciences refers to the disciplines that study living organisms and life processes, and include chemistry, biology, medicine, and a range of other related disciplines. Research efforts in life sciences are heavily data-driven,…

The rapid growth of open source machine learning (ML) resources, such as models and datasets, has accelerated IR research. However, existing platforms like Hugging Face do not explicitly utilize structured representations, limiting advanced…

Information Retrieval · Computer Science 2025-05-26 Qiaosheng Chen , Kaijia Huang , Xiao Zhou , Weiqing Luo , Yuanning Cui , Gong Cheng

Software systems are expansive, exhibiting behaviors characteristic of complex systems, such as self-organization and emergence. These systems, highlighted by advancements in Large Language Models (LLMs) and other AI applications developed…

Software Engineering · Computer Science 2025-04-01 Jan Žižka

The rise of software as a research object is mirrored in the increasing interests towards quantitative studies of scientific software. However, due to the inconsistent practice of citing software, most of the existing studies analyzing the…

Digital Libraries · Computer Science 2019-03-01 Kai Li , Pei-Ying Chen , Erjia Yan

Background: Assessing and communicating software engineering research can be challenging. Design science is recognized as an appropriate research paradigm for applied research but is seldom referred to in software engineering. Applying the…

Software Engineering · Computer Science 2020-07-01 Emelie Engström , Margaret-Anne Storey , Per Runeson , Martin Höst , Maria Teresa Baldassarre

In the field of computational science and engineering, workflows often entail the application of various software, for instance, for simulation or pre- and postprocessing. Typically, these components have to be combined in arbitrarily…

Software Engineering · Computer Science 2022-11-15 Philipp Diercks , Dennis Gläser , Ontje Lünsdorf , Michael Selzer , Bernd Flemisch , Jörg F. Unger

Writing complex computer programs to study scientific problems requires careful planning and an in-depth knowledge of programming languages and tools. In this chapter the importance of using the right tool for the right problem is…

Computational Physics · Physics 2010-06-17 Helmut G. Katzgraber

Introduction: Tracing the spread of ideas and the presence of influence is a question of special importance across a wide range of disciplines, ranging from intellectual history to cultural analytics, computational social science, and the…

Computation and Language · Computer Science 2024-11-01 Lucian Li , Eryclis Silva

Almost all research work in computational neuroscience involves software. As researchers try to understand ever more complex systems, there is a continual need for software with new capabilities. Because of the wide range of questions being…

Neurons and Cognition · Quantitative Biology 2013-11-21 Marc-Oliver Gewaltig , Robert Cannon

Scientific software is essential to scientific innovation and in many ways it is distinct from other types of software. Abandoned (or unmaintained), buggy, and hard to use software, a perception often associated with scientific software can…

Software Engineering · Computer Science 2025-06-23 Addi Malviya Thakur , Reed Milewicz , Mahmoud Jahanshahi , Lavínia Paganini , Bogdan Vasilescu , Audris Mockus

We introduce the General Index of Software Engineering Papers, a dataset of fulltext-indexed papers from the most prominent scientific venues in the field of Software Engineering. The dataset includes both complete bibliographic information…

Software Engineering · Computer Science 2022-04-08 Zeinab Abou Khalil , Stefano Zacchiroli

The reuse of research software is central to research efficiency and academic exchange. The application of software enables researchers with varied backgrounds to reproduce, validate, and expand upon study findings. Furthermore, the…

Context: Scientific software plays an important role in critical decision making, for example making weather predictions based on climate models, and computation of evidence for research publications. Recently, scientists have had to…

Software Engineering · Computer Science 2018-04-06 Upulee Kanewala , James M. Bieman

In recent years, Knowledge Graph (KG) development has attracted significant researches considering the applications in web search, relation prediction, natural language processing, information retrieval, question answering to name a few.…

Information Retrieval · Computer Science 2022-05-19 Satvik Garg , Dwaipayan Roy

In computational science and in computer science, research software is a central asset for research. Computational science is the application of computer science and software engineering principles to solving scientific problems, whereas…

Software Engineering · Computer Science 2019-08-19 Wilhelm Hasselbring , Leslie Carr , Simon Hettrick , Heather Packer , Thanassis Tiropanis

In this chapter we first outline some of the popular computing environments used for analysing neural data, followed by a brief discussion of 'software carpentry', basic tools and skills from software engineering that can be of great use to…

Neurons and Cognition · Quantitative Biology 2012-07-26 Robin A. A. Ince

Software is vital for the advancement of biology and medicine. Analysis of usage and impact metrics can help developers determine user and community engagement, justify additional funding, encourage additional use, identify unanticipated…

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