[HTML][HTML] Top 20 influential AI-based technologies in chemistry

VP Ananikov - Artificial Intelligence Chemistry, 2024 - Elsevier
The beginning and ripening of digital chemistry is analyzed focusing on the role of artificial
intelligence (AI) in an expected leap in chemical sciences to bring this area to the next …

The ARTISTIC Battery Manufacturing Digitalization Initiative: From Fundamental Research to Industrialization

JF Troncoso, FM Zanotto… - Batteries & …, 2025 - Wiley Online Library
Our ARTISTIC project was born in 2018 to improve the efficiency of lithium‐ion battery cell
manufacturing process through computational modelling, allowing the research and …

[HTML][HTML] Recent Developments in Stereoselective Reactions of Sulfoxonium Ylides

C O'Shaughnessy, M Mondal, NJ Kerrigan - Molecules, 2025 - mdpi.com
This review probes the recent developments in stereoselective reactions within the area of
sulfoxonium ylide chemistry since the early 2000s. An abundance of research has been …

Isocyanide-Based Multicomponent Reaction: Cascade α-Acyloxylation/Carboxamidation and [3 + 1+1] Cyclization of I(III)/S(VI)-Ylides

DT Shen, WR Wu, WX Zou, Q Hu, J Wei, MZ Bao… - Organic …, 2024 - ACS Publications
A metal-free cascade of α-acyloxylation/carboxamidation of I (III)/S (VI)-ylides, carboxylic
acids, and isonitriles via a Passerini-like multicomponent reaction is reported …

A machine learning model for predicting enantioselectivity in hypervalent iodine (iii) catalyzed asymmetric phenolic dearomatizations

B Gao, L Cai, Y Zhang, H Huang, Y Li… - CCS Chemistry, 2024 - chinesechemsoc.org
Catalytic asymmetric dearomatization (CADA) of phenols has emerged as a powerful
strategy for constructing stereochemically complicated architectures from planar aromatic …

SynAsk: unleashing the power of large language models in organic synthesis

C Zhang, Q Lin, B Zhu, H Yang, X Lian, H Deng… - Chemical …, 2025 - pubs.rsc.org
The field of natural language processing (NLP) has witnessed a transformative shift with the
emergence of large language models (LLMs), revolutionizing various language tasks and …

High-throughput experimentation and machine learning-promoted synthesis of α-phosphoryloxy ketones via Ru-catalyzed P (O) OH insertion reactions of sulfoxonium …

A Lin, J Liu, Y Xu, H Wu, Y Chen, Y Zhang, L Su… - Science China …, 2024 - Springer
Herein, we report a novel and highly efficient method for the synthesis of α-phosphoryloxy
carbonyl compounds via Ru-catalyzed P (O) OH insertion reactions of sulfoxonium ylides …

Production of high calorific value hydrogen-rich combustible gas by supercritical water gasification of straw assisted by machine learning

J Bai, Y Huang, X Fan, J Cui, B Chen, Y Chen… - Bioresource …, 2024 - Elsevier
This article reveals the basic laws of straw supercritical water gasification (SCWG) and
provides basic experimental data for the effective utilization of straw. The paper studied the …

Artificial Intelligence-Driven Development of Nickel-Catalyzed Enantioselective Cross-Coupling Reactions

Y Gao, K Hu, J Rao, Q Zhu, K Liao - ACS Catalysis, 2024 - ACS Publications
The conventional approach to develo** asymmetric synthetic methods relies heavily on
empirical optimization. However, the integration of artificial intelligence (AI) and high …

Direct synthesis of α-functionalized amides via heteroatom–hydrogen insertion reactions using amide-sulfoxonium ylides

H Wu, Y Xu, A Lin, Z Wang, H Chen, X Zhu… - Nature …, 2024 - nature.com
Abstract α-Functionalized Si-, Ge-, B-, Se-, and S-amide moieties are present in many
medicinally active molecules, but their synthesis remains challenging. Here, we demonstrate …