English
Related papers

Related papers: Discovering novel ingredient pairings in molecular…

200 papers

The last twenty years have witnessed molecular data emerge as a primary research instrument in most branches of mycology. Fungal systematics, taxonomy, and ecology have all seen tremendous progress and have undergone rapid, far-reaching…

Machine learning for molecular property prediction has focused largely on pure compounds, even though many practical applications depend on mixtures with intermolecular interactions. Recent work has expanded the availability of mixture…

Machine Learning · Computer Science 2026-05-29 Roel J. Leenhouts , Nathan K. Morgan , William Green , Jan G. Rittig , Florence H. Vermeire

This study explores a new method in food development by utilizing AI including generative AI, aiming to craft products that delight the senses and resonate with consumers' emotions. The food ingredient recommendation approach used in this…

Artificial Intelligence · Computer Science 2024-04-22 Takuya Sera , Izumi Kuwata , Yuki Taya , Noritaka Shimura , Yosuke Motohashi

The evolution of neutrino flavor in dense environments such as core-collapse supernovae and binary compact object mergers constitutes an important and unsolved problem. Its solution has potential implications for the dynamics and…

High Energy Astrophysical Phenomena · Physics 2021-04-29 Ermal Rrapaj , Amol V. Patwardhan , Eve Armstrong , George Fuller

Reaction prediction remains one of the major challenges for organic chemistry, and is a pre-requisite for efficient synthetic planning. It is desirable to develop algorithms that, like humans, "learn" from being exposed to examples of the…

Chemical Physics · Physics 2017-06-01 Jennifer N. Wei , David Duvenaud , Alán Aspuru-Guzik

Counting the number of isomers of a chemical molecule is one of the formative problems of graph theory. However, recent progress has been slow, and the problem has largely been ignored in modern network science. Here we provide an…

Physics and Society · Physics 2026-04-01 Rana Shojaei , Thilo Gross

Metabolism is a fascinating cell machinery underlying life and disease and genome-scale reconstructions provide us with a captivating view of its complexity. However, deciphering the relationship between metabolic structure and function…

Molecular Networks · Quantitative Biology 2011-09-12 M. Angeles Serrano , Marian Boguna , Francesc Sagues

Control theory has seen recently impactful applications in network science, especially in connections with applications in network medicine. A key topic of research is that of finding minimal external interventions that offer control over…

Molecular Networks · Quantitative Biology 2020-07-10 Victor-Bogdan Popescu , Krishna Kanhaiya , Iulian Năstac , Eugen Czeizler , Ion Petre

Biological networks have evolved to be highly functional within uncertain environments while remaining extremely adaptable. One of the main contributors to the robustness and evolvability of biological networks is believed to be their…

Molecular Networks · Quantitative Biology 2008-02-14 Arend Hintze , Christoph Adami

The work aims at providing a new methodology to facilitate the process of quantifying the food waste according to European standards all along the agrifood chain combining information that is becoming available at local level. This new…

There is rising evidence of the health benefit associated with specific dietary interventions. Current food-disease databases focus on associations and treatment relationships but haven't provided a reasonable assessment of the strength of…

Quantitative Methods · Quantitative Biology 2023-05-18 Wanting Su , Dongwei Liu , Feng Tan , Lun Hu , Pengwei Hu

This paper focuses on the modeling of musical melodies as networks. Notes of a melody can be treated as nodes of a network. Connections are created whenever notes are played in sequence. We analyze some main tracks coming from different…

Sound · Computer Science 2017-09-29 Stefano Ferretti

Complexes of physically interacting proteins are one of the fundamental functional units responsible for driving key biological mechanisms within the cell. Their identification is therefore necessary not only to understand complex formation…

Computational Engineering, Finance, and Science · Computer Science 2012-11-27 Sriganesh Srihari , Hon Wai Leong

The easy access to large data sets has allowed for leveraging methodology in network physics and complexity science to disentangle patterns and processes directly from the data, leading to key insights in the behavior of systems. Here we…

Physics and Society · Physics 2017-02-08 Chengyi Tu , Joel Carr , Samir Suweis

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

Databases of gas and surface chemical reactions are a key tool for scientists working in a wide range of physical sciences. In Astrochemistry, databases of chemical reactions are used as inputs to chemical models to determine the abundances…

Astrophysics of Galaxies · Physics 2021-01-14 Serena Viti , Jonathan Holdship

Modern computational chemistry has reached a stage at which massive exploration into chemical reaction space with unprecedented resolution with respect to the number of potentially relevant molecular structures has become possible. Various…

Chemical Physics · Physics 2020-04-27 Jan P. Unsleber , Markus Reiher

Most proteins perform their biological function by interacting with one or more molecular partners. In this respect, characterizing the features of the molecular surface, especially in the portions where the interaction takes place, turned…

Despite the abundance of multi-modal data, such as image-text pairs, there has been little effort in understanding the individual entities and their different roles in the construction of these data instances. In this work, we endeavour to…

Computer Vision and Pattern Recognition · Computer Science 2021-02-05 Hai X. Pham , Ricardo Guerrero , Jiatong Li , Vladimir Pavlovic

In this paper, we address the challenge of recipe personalization through ingredient substitution. We make use of Large Language Models (LLMs) to build an ingredient substitution system designed to predict plausible substitute ingredients…

Computation and Language · Computer Science 2024-12-09 Thevin Senath , Kumuthu Athukorala , Ransika Costa , Surangika Ranathunga , Rishemjit Kaur