Chemical space

Related papers: 20

Top Cited Papers

Controlling an organic synthesis robot with machine learning to search for new reactivity

Jarosław M. Granda, Liva Donina, Vincenza Dragone, De‐Liang Long, Leroy Cronin

Citations: 770 • 2018

High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis

Rebecca L. Greenaway, Valentina Santolini, Michael J. Bennison, Ben M. Alston, C. J. Pugh, Marc A. Little, Marcin Miklitz, E. G. B. Eden-Rump, Rob Clowes, A. Shakil, H. J. Cuthbertson, H. Armstrong, Michael E. Briggs, Kim E. Jelfs, Andrew I. Cooper

Citations: 215 • 2018

An artificial intelligence enabled chemical synthesis robot for exploration and optimization of nanomaterials

Yibin Jiang, Daniel Salley, Abhishek Sharma, Graham Keenan, Margaret Mullin, Leroy Cronin

Citations: 179 • 2022

The Evolution of DNA-Templated Synthesis as a Tool for Materials Discovery

Rachel K. O’Reilly, Andrew J. Turberfield, Thomas R. Wilks

Citations: 94 • 2017

An autonomous organic reaction search engine for chemical reactivity

Vincenza Dragone, Víctor Sans, Alon Henson, Jarosław M. Granda, Leroy Cronin

Citations: 89 • 2017

Activity-Based DNA-Encoded Library Screening

Wesley G. Cochrane, Marie L. Malone, Vương Đặng Quốc, V. Cavett, Alexander L. Satz, Brian M. Paegel

Citations: 85 • 2019

Discovering New Chemistry with an Autonomous Robotic Platform Driven by a Reactivity-Seeking Neural Network

Dario Caramelli, Jarosław M. Granda, S. Hessam M. Mehr, Dario Cambié, Alon Henson, Leroy Cronin

Citations: 77 • 2021

Networking chemical robots for reaction multitasking

Dario Caramelli, Daniel Salley, Alon Henson, Gerardo Aragón-Camarasa, Salah Sharabi, Graham Keenan, Leroy Cronin

Citations: 76 • 2018

Machine learning in experimental materials chemistry

Balaranjan Selvaratnam, Ranjit T. Koodali

Citations: 65 • 2020

Reaction screening in multiwell plates: high-throughput optimization of a Buchwald–Hartwig amination

Adam Cook, Roxanne Clément, Stephen G. Newman

Citations: 52 • 2021

User-friendly and industry-integrated AI for medicinal chemists and pharmaceuticals

Olga Kapustina, Polina Burmakina, Nina Gubina, Nikita Serov, Vladimir V. Vinogradov

Citations: 50 • 2024

Human versus Robots in the Discovery and Crystallization of Gigantic Polyoxometalates

Vasilios Duros, Jonathan Grizou, Weimin Xuan, Zied Hosni, De‐Liang Long, Haralampos N. Miras, Leroy Cronin

Citations: 43 • 2017

Intuition-Enabled Machine Learning Beats the Competition When Joint Human-Robot Teams Perform Inorganic Chemical Experiments

Vasilios Duros, Jonathan Grizou, Abhishek Sharma, S. Hessam M. Mehr, Andrius Bubliauskas, Przemysław Frei, Haralampos N. Miras, Leroy Cronin

Citations: 42 • 2019

A multimodal robotic platform for multi-element electrocatalyst discovery

Zhen Zhang, Zhichu Ren, Chia-Wei Hsu, Weibin Chen, Zhang-Wei Hong, Chi‐Feng Lee, Aubrey Penn, Hongbin Xu, Daniel J. Zheng, Yimeng Huang, Yifan Gao, Weiyin Chen, Hugh Smith, Yaoshen Niu, Yunsheng Tian, Ying‐Rui Lu, Yu‐Cheng Shao, Sipei Li, Hsiao‐Tsu Wang, Iwnetim I. Abate, Pulkit Agrawal, Yang Shao‐Horn, Ju Li

Citations: 39 • 2025

A high-throughput experimentation platform for data-driven discovery in electrochemistry

Dian‐Zhao Lin, К К Пан, Yuyin Li, Charles B. Musgrave, Lingyu Zhang, Krish N. Jayarapu, Tianchen Li, Jasmine Vy Tran, William A. Goddard, Zhengtang Luo, Yayuan Liu

Citations: 38 • 2025

Robotic Modules for the Programmable Chemputation of Molecules and Materials

Daniel Salley, J. Sebastián Manzano, Philip J. Kitson, Leroy Cronin

Citations: 33 • 2023

AI-driven advances in metal–organic frameworks: from data to design and applications

Jiakai Li, Dongzhi Chi, Zhengtao Xu, Jie Liu, Mingxi Chen, Ziyu Wang

Citations: 30 • 2025

Enabling Deoxygenative C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Cross-Coupling for Parallel Medicinal Chemistry

Wei Liu, James Mulhearn, Bo Hao, Santiago Cañellas, Stefaan Last, José Enrique Gómez, Alexander X. Jones, Alexander De Vera, Kiran Kumar, Raquel Rodríguez, Lars Van Eynde, Iulia I. Strambeanu, S. E. Wolkenberg

Citations: 26 • 2023

Humans in Outer Space — Interdisciplinary Odysseys

Luca Codignola, Kai-Uwe Schrogl, Agnieszka Lukaszczyk, Nicolas Peter

Citations: 26 • 2009

Ultraviolet Photoprocessing of Glycine Adsorbed on Various Space-Relevant Minerals

Giovanni Poggiali, Teresa Fornaro, Simone Potenti, Maria Angela Corazzi, J. R. Brucato

Citations: 20 • 2020