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Recent applications of machine learning and statistical inference provide case studies demonstrating how such approaches can accelerate the discovery process in physical chemistry and related fields. Examples discussed in this review…

Chemical Physics · Physics 2017-06-20 Ryan B. Jadrich , Beth A. Lindquist , Thomas M. Truskett

We present an innovative of artificial intelligence with column chromatography, aiming to resolve inefficiencies and standardize data collection in chemical separation and purification domain. By developing an automated platform for precise…

Machine Learning · Computer Science 2024-04-16 Wenchao Wu , Hao Xu , Dongxiao Zhang , Fanyang Mo

Reversible logic circuits have been historically motivated by theoretical research in low-power electronics as well as practical improvement of bit-manipulation transforms in cryptography and computer graphics. Recently, reversible circuits…

Emerging Technologies · Computer Science 2013-03-21 Mehdi Saeedi , Igor L. Markov

Much of contemporary systems biology owes its success to the abstraction of a network, the idea that diverse kinds of molecular, cellular, and organismal species and interactions can be modeled as relational nodes and edges in a graph of…

Molecular Networks · Quantitative Biology 2017-05-26 Joseph L. Natale , David Hofmann , Damian G. Hernández , Ilya Nemenman

Artificial Intelligence (AI) is revolutionizing emergency medicine by enhancing diagnostic processes and improving patient outcomes. This article provides a review of the current applications of AI in emergency imaging studies, focusing on…

Image and Video Processing · Electrical Eng. & Systems 2025-03-20 Gustavo Correia , Victor Alves , Paulo Novais

Artificial Intelligence (AI) is a fast-growing research and development (R&D) discipline which is attracting increasing attention because of its promises to bring vast benefits for consumers and businesses, with considerable benefits…

Artificial Intelligence · Computer Science 2022-05-10 Zhenghua Chen , Min Wu , Alvin Chan , Xiaoli Li , Yew-Soon Ong

One of the ambitions of artificial intelligence is to root artificial intelligence deeply in basic science while developing brain-inspired artificial intelligence platforms that will promote new scientific discoveries. The challenges are…

Artificial Intelligence · Computer Science 2020-09-15 Jingan Yang , Yang Peng

Artificial intelligence (AI) has become a crucial instrument for streamlining processes in various industries, including electrical power systems, as a result of recent digitalization. Algorithms for artificial intelligence are data-driven…

Machine Learning · Computer Science 2024-10-22 Abdur Rashid , Parag Biswas , Angona Biswas , MD Abdullah Al Nasim , Kishor Datta Gupta , Roy George

Deep Learning is one of the newest trends in Machine Learning and Artificial Intelligence research. It is also one of the most popular scientific research trends now-a-days. Deep learning methods have brought revolutionary advances in…

Machine Learning · Computer Science 2018-07-24 Matiur Rahman Minar , Jibon Naher

Progress in computer-aided synthesis planning (CASP) is obscured by the lack of standardized evaluation infrastructure and the reliance on metrics that prioritize topological completion over chemical validity. We introduce RetroCast, a…

Machine Learning · Computer Science 2025-12-09 Anton Morgunov , Victor S. Batista

The convergence of artificial intelligence (AI) and synthetic biology is rapidly accelerating the pace of biological discovery and engineering. AI techniques, such as large language models and biological design tools, are enabling the…

Other Quantitative Biology · Quantitative Biology 2024-05-01 Cindy Vindman , Benjamin Trump , Christopher Cummings , Madison Smith , Alexander J. Titus , Ken Oye , Valentina Prado , Eyup Turmus , Igor Linkov

In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning…

Data Analysis, Statistics and Probability · Physics 2019-02-21 Mojtaba Haghighatlari , Johannes Hachmann

Artificial intelligence (AI) systems capable of generating creative outputs are reshaping our understanding of creativity. This shift presents an opportunity for creativity researchers to reevaluate the key components of the creative…

Computers and Society · Computer Science 2024-12-09 Jaan Aru

Materials are the foundation of modern society, underpinning advancements in energy, electronics, healthcare, transportation, and infrastructure. The ability to discover and design new materials with tailored properties is critical to…

The problem of synthesis in computer sciences, including cybernetics, artificial intelligence and system analysis, is analyzed. Main methods of realization this problem are discussed. Ways of search universal method of creation universal…

Artificial Intelligence · Computer Science 2022-02-04 Vladislav Dorofeev , Petro Trokhimchuk

Reproducibility is one of the core dimensions that concur to deliver Trustworthy Artificial Intelligence. Broadly speaking, reproducibility can be defined as the possibility to reproduce the same or a similar experiment or method, thereby…

Artificial Intelligence · Computer Science 2023-02-27 Riccardo Albertoni , Sara Colantonio , Piotr Skrzypczyński , Jerzy Stefanowski

Catalysts are essential for accelerating chemical reactions and enhancing selectivity, which is crucial for the sustainable production of energy, materials, and bioactive compounds. Catalyst discovery is fundamental yet challenging in…

Computational Engineering, Finance, and Science · Computer Science 2025-02-20 Yuanyuan Xu , Hanchen Wang , Wenjie Zhang , Lexing Xie , Yin Chen , Flora Salim , Ying Zhang , Justin Gooding , Toby Walsh

This systematic review focuses on analyzing the use of machine learning techniques for identifying and quantifying analytes in various electrochemical applications, presenting the available applications in the literature. Machine learning…

The term artificial implies an inherent dichotomy from the natural or organic. However, AI, as we know it, is a product of organic ingenuity: designed, implemented, and iteratively improved by human cognition. The very principles that…

Artificial Intelligence · Computer Science 2025-12-25 Prajwal Ghimire , Keyoumars Ashkan

Natural language processing models have emerged that can generate usable software and automate a number of programming tasks with high fidelity. These tools have yet to have an impact on the chemistry community. Yet, our initial testing…

Statistical Mechanics · Physics 2023-01-11 Glen M. Hocky , Andrew D. White
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