Papers citing Controlling an organic synthesis robot with machine learning to search for new reactivity
A Microfluidics Reaction System with Automation for a Multicomponent Reaction
Advanced Intelligent Systems · 2020
Xinlong Pang, Haoran Zhao, Shaohua Ma
Read original paper ↗ ·2．合成化学者による機械学習の活用法
Denki Kagaku · 2020
田中 大輔
Read original paper ↗ ·Metasurface inverse design using machine learning approaches
Journal of Physics D Applied Physics · 2020
Xin Shi, Tianshuo Qiu, Jiafu Wang, Xueqing Zhao, Shaobo Qu
Read original paper ↗ ·A Structure-Based Platform for Predicting Chemical Reactivity
Chem · 2020
Frederik Sandfort, Felix Strieth‐Kalthoff, Marius Kühnemund, Christian Beecks, Frank Glorius
Read original paper ↗ ·Rapid Identification of X-ray Diffraction Patterns Based on Very Limited Data by Interpretable Convolutional Neural Networks
Journal of Chemical Information and Modeling · 2020
Hong Wang, Yunchao Xie, Dawei Li, Heng Deng, Yunxin Zhao, Ming Xin, Jian Lin
Read original paper ↗ ·A map of the amine–carboxylic acid coupling system
Nature · 2020
Babak A. Mahjour, Yuning Shen, Wenbo Liu, Tim Cernak
Read original paper ↗ ·Autonomous Titration for Chemistry Classrooms: Preparing Students for Digitized Chemistry Laboratories
ChemRxiv · 2020
Florian Häse, Teresa Tamayo-Mendoza, Carmen Boixo, Jonathan Romero, Loı̈c M. Roch, Alán Aspuru‐Guzik
Read original paper ↗ ·Autonomous Titration for Chemistry Classrooms: Preparing Students for Digitized Chemistry Laboratories
ChemRxiv · 2020
Florian Häse, Teresa Tamayo-Mendoza, Carmen Boixo, Jonathan Romero, Loı̈c M. Roch, Alán Aspuru‐Guzik
Read original paper ↗ ·A Bayesian experimental autonomous researcher for mechanical design
Science Advances · 2020
Aldair E. Gongora, Bowen Xu, Wyatt Perry, Chika Okoye, Patrick F. Riley, Kristofer G. Reyes, Elise Feng‐i Morgan, Keith A. Brown
Read original paper ↗ ·Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of N-Sulfonylimines Towards Fast Multicomponent Reactions
ChemRxiv · 2020
Krupal P. Jethava, Jonathan A. Fine, Yingqi Chen, Ahad Hossain, Gaurav Chopra
Read original paper ↗ ·An Autonomous Chemical Robot Discovers the Rules of Inorganic Coordination Chemistry without Prior Knowledge
Angewandte Chemie International Edition · 2020
Luzian Porwol, Daniel J. Kowalski, Alon Henson, De‐Liang Long, Nicola L. Bell, Leroy Cronin
Read original paper ↗ ·An Autonomous Chemical Robot Discovers the Rules of Inorganic Coordination Chemistry without Prior Knowledge
Angewandte Chemie · 2020
Luzian Porwol, Daniel J. Kowalski, Alon Henson, De‐Liang Long, Nicola L. Bell, Leroy Cronin
Read original paper ↗ ·Overview of Some Intelligent Control Structures and Dedicated Algorithms
IntechOpen eBooks · 2020
Kuan‐Chang Chang, Kai-Chun Chu, Yuh-Chung Lin, Jeng‐Shyang Pan
Read original paper ↗ ·Solvent Selection Scheme Using Machine Learning Based on Physicochemical Description of Solvent Molecules: Application to Cyclic Organometallic Reaction
Bulletin of the Chemical Society of Japan · 2020
Mikito Fujinami, Hiroki Maekawara, Ryota Isshiki, Junji Seino, Junichiro Yamaguchi, Hiromi Nakai
Read original paper ↗ ·Property-Oriented Material Design Based on a Data-Driven Machine Learning Technique
The Journal of Physical Chemistry Letters · 2020
Qionghua Zhou, Shuaihua Lu, Yilei Wu, Jinlan Wang
Read original paper ↗ ·Comprehensive Mass Spectrometric Mapping of Chemical Compounds for the Development of Algorithms for Machine Learning and Artificial Intelligence
Doklady Physical Chemistry · 2020
Julia V. Burykina, Daniil A. Boiko, Valentina V. Ilyushenkova, Dmitry B. Eremin, Valentine P. Ananikov
Read original paper ↗ ·Opportunities and Challenges for Machine Learning in Materials Science
Annual Review of Materials Research · 2020
Dane D. Morgan, Ryan Jacobs
Read original paper ↗ ·Machine Learning Methods for Improved Understanding of a Pumping Test in Heterogeneous Aquifers
Water · 2020
Yong Hua Fan, Litang Hu, Hongliang Wang, Xin Liu
Read original paper ↗ ·Self-driving laboratory for accelerated discovery of thin-film materials
Science Advances · 2020
Benjamin P. MacLeod, Fraser G. L. Parlane, Thomas D. Morrissey, Florian Häse, Loı̈c M. Roch, Kevan E. Dettelbach, Raphaell Moreira, Lars P. E. Yunker, Michael B. Rooney, Joseph R. Deeth, Veronica Lai, G. J. Ng, Henry Situ, Ray H. Zhang, Michael S. Elliott, Ted H. Haley, David Dvořák, Alán Aspuru‐Guzik, Jason E. Hein, Curtis P. Berlinguette
Read original paper ↗ ·Predicting creep rupture life of Ni-based single crystal superalloys using divide-and-conquer approach based machine learning
Acta Materialia · 2020
Yue Liu, Junming Wu, Zhichao Wang, Xiao‐Gang Lu, Maxim Avdeev, Siqi Shi, Chong‐Yu Wang, Tao Yu
Read original paper ↗ ·A strategy combining machine learning and multiscale calculation to predict tensile strength for pearlitic steel wires with industrial data
Scripta Materialia · 2020
Xue Feng Jiang, Baorui Jia, Guofei Zhang, Cong Zhang, Xin Wang, Ruijie Zhang, Haiqing Yin, Xuanhui Qu, Yong Hui Song, Lan Su, Zhenli Mi, Lei Hu, Han Ma
Read original paper ↗ ·Artificial Chemist: An Autonomous Quantum Dot Synthesis Bot
Advanced Materials · 2020
Robert W. Epps, Michael Bowen, Amanda A. Volk, Kameel Abdel‐Latif, Suyong Han, Kristofer G. Reyes, Aram Amassian, Milad Abolhasani
Read original paper ↗ ·Synthesis, Characterization, and Catalytic Property of a Hybrid Nanoscale Polyoxoniobate
Journal of Cluster Science · 2020
Xiang Ma, Yujian Bian, Yingjie Zhou, Qiang Zhao, Yong Tian, Jiai Hua, Pengtao Ma
Read original paper ↗ ·3D-Printed Labware for High-Throughput Immobilization of Enzymes
The Journal of Organic Chemistry · 2020
Michael B. Spano, Brandan H. Tran, Sudipta Majumdar, Gregory A. Weiss
Read original paper ↗ ·Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens
Journal of Chemical Theory and Computation · 2020
Christian Devereux, Justin S. Smith, Kate K. Huddleston, Kipton M. Barros, R.I. Zubatyuk, Olexandr Isayev, Adrián E. Roitberg
Read original paper ↗ ·Two luminescent cadmium(II) coordination compounds based on tetrazole–carboxylates
Journal of the Iranian Chemical Society · 2020
Xinyu Hao, Yan Li, Jing’ao Ren, Conghao Shi, Yuanhui Liu, Qiaoyun Li, Dengfeng Zou, Gao‐Wen Yang
Read original paper ↗ ·Disposable cartridge concept for the on-demand synthesis of turbo Grignards, Knochel–Hauser amides, and magnesium alkoxides
Beilstein Journal of Organic Chemistry · 2020
Mateo Berton, Kevin Sheehan, Andrea Adamo, D. Tyler McQuade
Read original paper ↗ ·Empirically Verifying Hypotheses Using Reinforcement Learning
arXiv (Cornell University) · 2020
Kenneth Marino, Rob Fergus, Arthur D. Szlam, Abhinav Gupta
Read original paper ↗ ·A mobile robotic chemist
Nature · 2020
Benjamin Burger, Phillip M. Maffettone, Vladimir V. Gusev, Catherine M. Aitchison, Yang Bai, Xiaoyan Wang, Xiaobo Li, Ben M. Alston, Buyi Li, Rob Clowes, Nicola Rankin, Brandon Harris, Reiner Sebastian Sprick, Andrew Ian Cooper
Read original paper ↗ ·An organic–inorganic hybrid nanoscale phosphotungstate with reactive oxygen species catalytic ability
Inorganic and Nano-Metal Chemistry · 2020
Xiang Ma, Yingjie Zhou, Xinru Yuan, Yujie Miao, Qiang Zhao, Jiai Hua, Pengtao Ma
Read original paper ↗ ·A Prediction of Future States: AI-powered Chemical Innovation for Defense Applications
Royal Society of Chemistry eBooks · 2020
Tyler S. Stukenbroeker, Jonathan Clausen
Read original paper ↗ ·Artificial Intelligence Applied to the Prediction of Organic Materials
Royal Society of Chemistry eBooks · 2020
Steven Bennett, Andrew Tarzia, Martijn A. Zwijnenburg, Kim E. Jelfs
Read original paper ↗ ·Elevating Chemistry Research with a Modern Electronics Toolkit
Chemical Reviews · 2020
Gurpur Rakesh D. Prabhu, Pawel Lukasz Urban
Read original paper ↗ ·Integrating multiple materials science projects in a single neural network
Communications Materials · 2020
Kan Hatakeyama‐Sato, Kenichi Oyaizu
Read original paper ↗ ·AI Applications through the Whole Life Cycle of Material Discovery
Matter · 2020
Jiali Li, Kaizhuo Lim, Haitao Yang, Zekun Ren, S. Raghavan, Po‐Yen Chen, Tonio Buonassisi, Xiaonan Wang
Read original paper ↗ ·Machine learning approaches for the prediction of materials properties
APL Materials · 2020
Siwar Chibani, François‐Xavier Coudert
Read original paper ↗ ·5-Carbonyl-1,3-oxazine-2,4-diones from N-Cyanosulfoximines and Meldrum’s Acid Derivatives
Organic Letters · 2020
Felix Brosge, Johannes F. Kochs, Mariela Bregu, Khai‐Nghi Truong, Kari T. Rissanen, Carsten Bolm
Read original paper ↗ ·A Modular Programmable Inorganic Cluster Discovery Robot for the Discovery and Synthesis of Polyoxometalates
ACS Central Science · 2020
Daniel Salley, Graham Keenan, De‐Liang Long, Nicola L. Bell, Leroy Cronin
Read original paper ↗ ·Bioinspiration in light harvesting and catalysis
Nature Reviews Materials · 2020
Andrew H. Proppe, Yuguang Li, Alán Aspuru‐Guzik, Curtis P. Berlinguette, Christopher J. Chang, Richard John Cogdell, Abigail G. Doyle, Johannes Flick, Nathaniel M. Gabor, Rienk van Grondelle, Sharon Hammes‐Schiffer, Shaffiq A. Jaffer, Shana O. Kelley, Mario Leclerc, Karl Leo, Thomas E. Mallouk, Prineha Narang, Gabriela S. Schlau‐Cohen, Gregory D. Scholes, Aleksandra Vojvodić, Vivian Wing‐Wah Yam, Jenny Y. Yang, Edward Hartley Sargent
Read original paper ↗ ·Causal Inference Machine Learning Leads Original Experimental Discovery in CdSe/CdS Core/Shell Nanoparticles
The Journal of Physical Chemistry Letters · 2020
Rulin Liu, Junjie Hao, Jiagen Li, Shujie Wang, Haochen Liu, Ziming Zhou, Marie‐Hélène Delville, Jiaji Cheng, Kai Wang, Xi Zhu
Read original paper ↗ ·Machine-learned metrics for predicting the likelihood of success in materials discovery
npj Computational Materials · 2020
Yoolhee Kim, Edward Kim, Erin Antono, Bryce Meredig, Julia Ling
Read original paper ↗ ·Organic Superbases in Recent Synthetic Methodology Research
Chemistry - A European Journal · 2020
Thomas R. Puleo, Stephen J. Sujansky, Shawn E. Wright, Jeffrey S. Bandar
Read original paper ↗ ·Mapping the resources and approaches facilitating computer-aided synthesis planning
Organic Chemistry Frontiers · 2020
Zheng Wang, Wei Zhao, Ge‐Fei Hao, Baoan Song
Read original paper ↗ ·The tmQM Dataset - Quantum Geometries and Properties of 86k Transition Metal Complexes
ChemRxiv · 2020
David Balcells, Bastian Bjerkem Skjelstad
Read original paper ↗ ·Boxing Clever: Robotic Screening of Catalysts Using an Adapted Gas Chromatograph
Matter · 2020
Andrew Ian Cooper
Read original paper ↗ ·Digital Reticular Chemistry
Chem · 2020
Hao Lyu, Zhe Ji, Stefan Wuttke, Omar M. Yaghi
Read original paper ↗ ·Large family of two-dimensional ferroelectric metals discovered via machine learning
中国科学通报：英文版 · 2020
Xing-Yu Ma, Hou-Yi Lyu, Kuan-Rong Hao, Yi-Ming Zhao, Xiaofeng Qian, Qing‐Bo Yan, Gang Su
Read original paper ↗ ·A Reactivity First Approach to Autonomous Discovery of New Chemistry
ChemRxiv · 2020
Dario Caramelli, Jarosław M. Granda, S. Hessam M. Mehr, Dario Cambié, Alon Henson, Leroy Cronin
Read original paper ↗ ·Molecular Machine Learning: The Future of Synthetic Chemistry?
Angewandte Chemie International Edition · 2020
Philipp Miro Pflüger, Frank Glorius
Read original paper ↗ ·Molekulares maschinelles Lernen: Die Zukunft der Synthesechemie?
Angewandte Chemie · 2020
Philipp Miro Pflüger, Frank Glorius
Read original paper ↗ ·