Papers citing Controlling an organic synthesis robot with machine learning to search for new reactivity
Synthetic organic chemistry driven by artificial intelligence
Nature Reviews Chemistry · 2019-08-21
A. Filipa Almeida, Rui Moreira, Tiago Rodrigues
Read original paper ↗ ·3D-printed automation for optimized PET radiochemistry
Science Advances · 2019-09-06
Alejandro Amor‐Coarasa, James Marshall Kelly, John W. Babich
Read original paper ↗ ·High-throughput screening for improved microbial cell factories, perspective and promise
Current Opinion in Biotechnology · 2019-09-09
Michael D. Leavell, Amoolya H. Singh, Benjamin Kaufmann-Malaga
Read original paper ↗ ·Establishment of Guidelines for the Control of Glycosylation Reactions and Intermediates by Quantitative Assessment of Reactivity
Angewandte Chemie International Edition · 2019-09-13
Chun‐Wei Chang, Chia‐Hui Wu, Mei‐Huei Lin, Pin‐Hsuan Liao, Chun‐Chi Chang, Hsiao‐Han Chuang, Su‐Ching Lin, Sarah Lam, Ved Prakash Verma, Chao‐Ping Hsu, Cheng‐Chung Wang
Read original paper ↗ ·Establishment of Guidelines for the Control of Glycosylation Reactions and Intermediates by Quantitative Assessment of Reactivity
Angewandte Chemie · 2019-09-13
Chun‐Wei Chang, Chia‐Hui Wu, Mei‐Huei Lin, Pin‐Hsuan Liao, Chun‐Chi Chang, Hsiao‐Han Chuang, Su‐Ching Lin, Sarah Lam, Ved Prakash Verma, Chao‐Ping Hsu, Cheng‐Chung Wang
Read original paper ↗ ·Autonome Entdeckung in den chemischen Wissenschaften, Teil I: Fortschritt
Angewandte Chemie · 2019-09-25
Connor W. Coley, Natalie S. Eyke, Klavs F. Jensen
Read original paper ↗ ·Autonomous Discovery in the Chemical Sciences Part I: Progress
Angewandte Chemie International Edition · 2019-09-25
Connor W. Coley, Natalie S. Eyke, Klavs F. Jensen
Read original paper ↗ ·Data Infrastructure Elements in Support of Accelerated Materials Innovation: ELA, PyMKS, and MATIN
Integrating materials and manufacturing innovation · 2019-10-10
Surya R. Kalidindi, Ali Khosravani, Berkay Yucel, Apaar Shanker, Aleksandr L. Blekh
Read original paper ↗ ·A New World for Chemical Synthesis?
CHIMIA International Journal for Chemistry · 2019-10-24
Steven V. Ley, Yiding Chen, Daniel E. Fitzpatrick, Oliver S. May
Read original paper ↗ ·NMR spectral analysis of strongly second‐order 6‐, 8‐, 9‐ and 10‐ spin‐systems (1H─19F, 19F─19F, and 13C─19F) in perfluorotoluyl‐ and tetrafluoro‐pyridyl‐aromatics using the lineshape method ANATOLIA
Magnetic Resonance in Chemistry · 2019-10-29
Mark A. Edgar, Dee Hayward, Fatemeh Zeinali, Shahzad Riaz, George William Weaver
Read original paper ↗ ·Flow Photochemistry: Shine Some Light on Those Tubes!
Trends in Chemistry · 2019-11-03
Carlo Sambiagio, Timothy Noël
Read original paper ↗ ·One-step synthesis of ball-shaped metal complexes with a main absorption band in the near-IR region
Scientific Reports · 2019-11-11
Taniyuki Furuyama, Fumika Shimasaki, Natsumi Saikawa, Hajime Maeda, Masahito Segi
Read original paper ↗ ·Deep Learning for Deep Chemistry: Optimizing the Prediction of Chemical Patterns
Frontiers in Chemistry · 2019-11-26
Tânia F. G. G. Cova, Alberto A. C. C. Pais
Read original paper ↗ ·Computational modeling to design and analyze synthetic metabolic circuits
Unknown journal · 2019-11-28
Mathilde Koch
Read original paper ↗ ·AI-assisted synthesis prediction
Drug Discovery Today Technologies · 2019-12-01
Simon Johansson, Amol Thakkar, Thierry Kogej, Esben Jannik Bjerrum, Samuel Genheden, Tomas Bastys, Christos C. Kannas, Alexander Schliep, Hongming Chen, Ola Engkvist
Read original paper ↗ ·Practical considerations for active machine learning in drug discovery
Drug Discovery Today Technologies · 2019-12-01
Daniel Reker
Read original paper ↗ ·The good, the bad, and the ugly in chemical and biological data for machine learning
Drug Discovery Today Technologies · 2019-12-01
Tiago Rodrigues
Read original paper ↗ ·Rapid Identification of X-ray Diffraction Spectra Based on Very Limited Data by Interpretable Convolutional Neural Networks
arXiv (Cornell University) · 2019-12-16
Hong Wang, Yunchao Xie, Dawei Li, Heng Deng, Yunxin Zhao, Ming Xin, Jian Lin
Read original paper ↗ ·Machine Learning Assisted Synthesis of Metal–Organic Nanocapsules
Journal of the American Chemical Society · 2019-12-24
Yunchao Xie, Chen Zhang, Xiangquan Hu, Chi Zhang, Steven P. Kelley, Jerry L. Atwood, Jian Lin
Read original paper ↗ ·A Quantum Entanglement-Based Approach for Computing Sentence Similarity
IEEE Access · 2020-01-01
Yu Yan, Dong Qiu, Ruiteng Yan
Read original paper ↗ ·A silver-substituted phosphomolybdate prevents the growth of bacteria without affecting the balance of reactive oxygen species
CrystEngComm · 2020-01-01
Jiai Hua, Xin Hua Yuan, Xiang Ma, Pengtao Ma, Jingping Wang, Jingyang Niu
Read original paper ↗ ·Accelerating gas–liquid chemical reactions in flow
Chemical Communications · 2020-01-01
Suyong Han, Marjan Alsadat Kashfipour, Mahdi Ramezani, Milad Abolhasani
Read original paper ↗ ·Automated generation of photochemical reaction data by transient flow experiments coupled with online HPLC analysis
Reaction Chemistry & Engineering · 2020-01-01
Christian P. Haas, Simon Biesenroth, Stephan Buckenmaier, Tom van de Goor, Ulrich Tallarek
Read original paper ↗ ·Cost, performance prediction and optimization of a vanadium flow battery by machine-learning
Energy & Environmental Science · 2020-01-01
Tianyu Li, Feng Xing, Tao Liu, Jiawei Sun, Dingqin Shi, Huamin Zhang, Xianfeng Li
Read original paper ↗ ·Digging Deeper into the Methods of Computational Chemistry
Deep Blue (University of Michigan) · 2020-01-01
Joshua A. Kammeraad
Read original paper ↗ ·Digitising chemical synthesis in automated and robotic flow
Chemical Science · 2020-01-01
Tomas Hardwick, Nisar Ahmed
Read original paper ↗ ·Iterative experimental design based on active machine learning reduces the experimental burden associated with reaction screening
Reaction Chemistry & Engineering · 2020-01-01
Natalie S. Eyke, William H. Green, Klavs F. Jensen
Read original paper ↗ ·Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex
Chemical Science · 2020-01-01
Pascal Friederich, Gabe Gomes, Riccardo De Bin, Alán Aspuru‐Guzik, David Balcells
Read original paper ↗ ·Machine learning the ropes: principles, applications and directions in synthetic chemistry
Chemical Society Reviews · 2020-01-01
Felix Strieth‐Kalthoff, Frederik Sandfort, Marwin Segler, Frank Glorius
Read original paper ↗ ·Microwave Flow Chemistry
Springer eBooks · 2020-01-01
Joshua P. Barham, Emiko Koyama, Yasuo Norikane, Takeo Yoshimura
Read original paper ↗ ·Online tracing of molecular weight evolution during radical polymerization via high-resolution FlowNMR spectroscopy
Polymer Chemistry · 2020-01-01
Jeroen Hendrik Vrijsen, Isabel A. Thomlinson, Martin E. Levere, Catherine L. Lyall, Matthew G. Davidson, Ulrich Hintermair, Tanja Junkers
Read original paper ↗ ·Perspectives from nearly five decades of total synthesis of natural products and their analogues for biology and medicine
Natural Product Reports · 2020-01-01
Kyriacos Costa Nicolaou, Stephan Rigol
Read original paper ↗ ·Prediction of optoelectronic properties of Cu 2 O using neural network potential
Physical Chemistry Chemical Physics · 2020-01-01
Balaranjan Selvaratnam, Ranjit T. Koodali, Pere Miró
Read original paper ↗ ·Spectral deep learning for prediction and prospective validation of functional groups
Chemical Science · 2020-01-01
Jonathan A. Fine, Anand A. Rajasekar, Krupal P. Jethava, Gaurav Chopra
Read original paper ↗ ·A unified machine-learning protocol for asymmetric catalysis as a proof of concept demonstration using asymmetric hydrogenation
Proceedings of the National Academy of Sciences · 2020-01-08
Sukriti Singh, Monika Pareek, Avtar Changotra, Sayan Banerjee, Bangaru Bhaskararao, P. Balamurugan, Raghavan B. Sunoj
Read original paper ↗ ·Ternary Catalysis: A Stepping Stone toward Multicatalysis
ACS Catalysis · 2020-01-08
Shashank P. Sancheti, Urvashi Urvashi, Mosami P. Shah, Nitin T. Patil
Read original paper ↗ ·A hybrid silicotungstate based on tri-coordination copper complex and Keggin type cluster with reactive oxygen species catalytic ability
Journal of Molecular Structure · 2020-01-13
Xiang Ma, Qiang Zhao, Bin Wang, Danni Li, Yujie Zhou, Jiai Hua, Pengtao Ma
Read original paper ↗ ·Design space visualization for guiding investments in biodegradable and sustainably sourced materials
MRS Communications · 2020-01-14
James S. Peerless, Emre Sevgen, Stephen D. Edkins, Jason Koeller, Edward Kim, Yoolhee Kim, Astha Gargt, Erin Antono, Julia Ling
Read original paper ↗ ·Multi‐Layer Feature Selection Incorporating Weighted Score‐Based Expert Knowledge toward Modeling Materials with Targeted Properties
Advanced Theory and Simulations · 2020-01-15
Yue Liu, Junming Wu, Maxim Avdeev, Siqi Shi
Read original paper ↗ ·A Hybrid Strategy for the Discovery and Design of Photonic Structures
IEEE Journal on Emerging and Selected Topics in Circuits and Systems · 2020-01-28
Zhaocheng Liu, Lakshmi Raju, Dayu Zhu, Wenshan Cai
Read original paper ↗ ·Low‐field benchtop NMR spectroscopy: status and prospects in natural product analysis †
Phytochemical Analysis · 2020-01-28
Teris André van Beek
Read original paper ↗ ·A curious formulation robot enables the discovery of a novel protocell behavior
Science Advances · 2020-01-31
Jonathan Grizou, Laurie J. Points, Abhishek Sharma, Leroy Cronin
Read original paper ↗ ·A Crystallization Robot for Generating True Random Numbers Based on Stochastic Chemical Processes
Matter · 2020-02-10
Edward C. Lee, Juan Manuel Parrilla Gutiérrez, Alon Henson, Euan K. Brechin, Leroy Cronin
Read original paper ↗ ·Artificial Intelligence to Power the Future of Materials Science and Engineering
Advanced Intelligent Systems · 2020-02-11
Wuxin Sha, Yaqing Guo, Qing Min Yuan, Shun Tang, Xinfang Zhang, Songfeng Lu, Xin Guo, Yuan‐Cheng Cao, Shijie Cheng
Read original paper ↗ ·Beyond Ternary OPV: High‐Throughput Experimentation and Self‐Driving Laboratories Optimize Multicomponent Systems
Advanced Materials · 2020-02-12
Stefan Langner, Florian Häse, José Darío Perea, Tobias Stubhan, Jens Hauch, Loı̈c M. Roch, Thomas Heumueller, Alán Aspuru‐Guzik, Christoph Josef Brabec
Read original paper ↗ ·Online process monitoring of a batch distillation by medium field NMR spectroscopy
Chemical Engineering Science · 2020-02-12
Anne Friebel, Erik von Harbou, Kerstin Münnemann, Hans Hasse
Read original paper ↗ ·The Medicinal Chemistry in the Era of Machines and Automation: Recent Advances in Continuous Flow Technology
Journal of Medicinal Chemistry · 2020-02-12
Antimo Gioiello, Alessandro Piccinno, Anna Maria Lozza, Bruno Cerra
Read original paper ↗ ·Simple Visual-Aided Automated Titration Using the Python Programming Language
Journal of Chemical Education · 2020-02-14
Song Tan, Pavan Kumar Naraharisetti, Siew Kian Chin, Lai Yeng Lee
Read original paper ↗ ·Closed-loop optimization of fast-charging protocols for batteries with machine learning
Nature · 2020-02-19
Peter M. Attia, Aditya Grover, Norman Jin, Kristen Severson, Todor Markov, Yang-Hung Liao, Michael H. Chen, Bryan Cheong, Nicholas Perkins, Zi Yang, Patrick K. Herring, Muratahan Aykol, Stephen J. Harris, Richard D. Braatz, Stefano Ermon, William C. Chueh
Read original paper ↗ ·What Does the Machine Learn? Knowledge Representations of Chemical Reactivity
Journal of Chemical Information and Modeling · 2020-02-24
Joshua A. Kammeraad, Jack Goetz, Eric A. Walker, Ambuj Tewari, Paul M. Zimmerman
Read original paper ↗ ·