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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…

化学物理 · 物理学 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…

机器学习 · 计算机科学 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…

新兴技术 · 计算机科学 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…

分子网络 · 定量生物学 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…

图像与视频处理 · 电气工程与系统科学 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…

人工智能 · 计算机科学 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…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

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…

数据分析、统计与概率 · 物理学 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…

计算机与社会 · 计算机科学 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…

人工智能 · 计算机科学 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…

人工智能 · 计算机科学 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…

计算工程、金融与科学 · 计算机科学 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…

人工智能 · 计算机科学 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…

统计力学 · 物理学 2023-01-11 Glen M. Hocky , Andrew D. White