Papers citing Optimizing Chemical Reactions with Deep Reinforcement Learning
Concurrent Optimization of Organic Donor–Acceptor Pairs through Machine Learning
Advanced Energy Materials · 2019-09-03
Daniele Padula, Alessandro Troisi
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 ↗ ·Efficient Navigation of Colloidal Robots in an Unknown Environment via Deep Reinforcement Learning
Advanced Intelligent Systems · 2019-10-01
Yuguang Yang, Michael A. Bevan, Bo Li
Read original paper ↗ ·I'm sorry Dave, I'm afraid I can't do that, Deep Q-learning from forbidden action
arXiv (Cornell University) · 2019-10-04
Mathieu Seurin, Preux, Philippe, Olivier Pietquin
Read original paper ↗ ·A reinforcement learning decision model for online process parameters optimization from offline data in injection molding
Applied Soft Computing · 2019-10-08
Fei Guo, Xiaowei Zhou, Jiahuan Liu, Yun Zhang, Dequn Li, Huamin Zhou
Read original paper ↗ ·Machine Learning for Tailoring Optoelectronic Properties of Single-Walled Carbon Nanotube Films
The Journal of Physical Chemistry Letters · 2019-10-22
Eldar M. Khabushev, Dmitry V. Krasnikov, Orysia T. Zaremba, Alexey P. Tsapenko, Anastasia E. Goldt, Albert G. Nasibulin
Read original paper ↗ ·Machine Learning for Accelerated Discovery of Solar Photocatalysts
ACS Catalysis · 2019-11-07
Hassan Masood, Cui Ying Toe, Wey Yang Teoh, Vidhyasaharan Sethu, Rose Amal
Read original paper ↗ ·Reinforcement Learning-Driven Test Generation for Android GUI Applications using Formal Specifications
arXiv (Cornell University) · 2019-11-13
Yavuz Köroglu, Alper Şen
Read original paper ↗ ·A Deep Reinforcement Learning Architecture for Multi-stage Optimal Control
arXiv (Cornell University) · 2019-11-25
Yuguang Yang
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 ↗ ·Deep reinforcement learning in World-Earth system models to discover sustainable management strategies
Chaos An Interdisciplinary Journal of Nonlinear Science · 2019-12-01
Felix Strnad, Wolfram Barfuß, Jonathan F. Donges, Jobst Heitzig
Read original paper ↗ ·Exploration of flow reaction conditions using machine-learning for enantioselective organocatalyzed Rauhut–Currier and [3+2] annulation sequence
Chemical Communications · 2019-12-09
Masaru Kondo, H. D. P. Wathsala, Makoto Sako, Yutaro Hanatani, Kazunori Ishikawa, Satoshi Hara, Takayuki Takaai, Takashi Washio, Shinobu Takizawa, Hiroaki Sasai
Read original paper ↗ ·Quantitative Structure–Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future
Chemical Reviews · 2019-12-30
Andrew F. Zahrt, Soumitra V. Athavale, Scott E. Denmark
Read original paper ↗ ·Correction: Exploration of flow reaction conditions using machine-learning for enantioselective organocatalyzed Rauhut–Currier and [3+2] annulation sequence
Chemical Communications · 2020-01-01
Masaru Kondo, H. D. P. Wathsala, Makoto Sako, Yutaro Hanatani, Kazunori Ishikawa, Satoshi Hara, Takayuki Takaai, Takashi Washio, Shinobu Takizawa, Hiroaki Sasai
Read original paper ↗ ·Estimating Optimum Process Parameters in Textile Draping of Variable Part Geometries - A Reinforcement Learning Approach
Procedia Manufacturing · 2020-01-01
Clemens Zimmerling, Christian Poppe, Luise Kärger
Read original paper ↗ ·Interpretable machine learning as a tool for scientific discovery in chemistry
New Journal of Chemistry · 2020-01-01
Richard Dybowski
Read original paper ↗ ·Meta-Learning for Black-Box Optimization
Lecture notes in computer science · 2020-01-01
Vishnu Tv, Pankaj Malhotra, Jyoti Narwariya, Lovekesh Vig, Gautam M. Shroff
Read original paper ↗ ·NEURAL NETWORK AGENT PLAYING SPIN HAMILTONIAN GAMES ON A QUANTUM COMPUTER
Electronic Archive of Ural Federal University (ELAR UrFU) · 2020-01-01
Sotnikov, O. M., Mazurenko, V. V.
Read original paper ↗ ·Non-precious-metal catalysts for alkaline water electrolysis: operando characterizations, theoretical calculations, and recent advances
Chemical Society Reviews · 2020-01-01
Jian Wang, Yang Gao, Hui Kong, Juwon Kim, Subin Choi, Francesco Ciucci, Yong Mei Hao, Shihe Yang, Zongping Shao, Jongwoo Lim
Read original paper ↗ ·Optimisation of flow chemistry : tools and algorithms
Unknown journal · 2020-01-01
Carlos González Niño
Read original paper ↗ ·Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki–Miyaura cross-coupling reaction
Organic Chemistry Frontiers · 2020-01-01
Zunyun Fu, Xutong Li, Zhaohui Wang, Zhaojun Li, Xiaohong Liu, Xiaolong Wu, Jihui Zhao, Xiaoyu Ding, Xiaozhe Wan, Feisheng Zhong, Dingyan Wang, Xiaomin Luo, Kaixian Chen, Hong Shu Liu, Jiang Wang, Hualiang Jiang, Mingyue Zheng
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 ↗ ·The Roles of the NLRP3 Inflammasome in Neurodegenerative and Metabolic Diseases and in Relevant Advanced Therapeutic Interventions
Genes · 2020-01-27
Rameez Hassan Pirzada, Nasir Javaid, Sangdun Choi
Read original paper ↗ ·Automated droplet reactor for the synthesis of iron oxide/gold core-shell nanoparticles
Scientific Reports · 2020-02-03
Christian D. Ahrberg, Ji Wook Choi, Bong Geun Chung
Read original paper ↗ ·Toward “On‐Demand” Materials Synthesis and Scientific Discovery through Intelligent Robots
Advanced Science · 2020-02-03
Jiagen Li, Yuxiao Tu, Rulin Liu, Yihua Lu, Xi Zhu
Read original paper ↗ ·Neural network agent playing spin Hamiltonian games on a quantum computer
Journal of Physics A Mathematical and Theoretical · 2020-02-07
Oleg M Sotnikov, Vladimir V Mazurenko
Read original paper ↗ ·Artificial intelligence and machine learning for targeted energy storage solutions
Current Opinion in Electrochemistry · 2020-02-18
Dean H. Barrett, Aderemi Bashiru Haruna
Read original paper ↗ ·Cautious Reinforcement Learning with Logical Constraints
arXiv (Cornell University) · 2020-02-26
Mohammadhosein Hasanbeig, Alessandro Abate, Daniel Kroening
Read original paper ↗ ·Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis
Journal of Medicinal Chemistry · 2020-04-03
Thomas J. Struble, Juan C. Alvarez, Scott P. Brown, Milan Chytil, Justin S. Cisar, Renée L. DesJarlais, Ola Engkvist, Scott A. Frank, Daniel R. Greve, Daniel J. Griffin, Xinjun Hou, Jeffrey W. Johannes, Constantine Kreatsoulas, Brian R. Lahue, Miriam Mathea, Georg Mogk, Christos A. Nicolaou, Andrew Palmer, Daniel J. Price, Richard I. Robinson, Sebastian Salentin, Xing Li, Tommi Jaakkola, William H. Green, Regina Barzilay, Connor W. Coley, Klavs F. Jensen
Read original paper ↗ ·Hard-threshold neural network-based prediction of organic synthetic outcomes
BMC Chemical Engineering · 2020-04-07
Haoyang Hu, Zhihong Yuan
Read original paper ↗ ·Spoken Language Acquisition Based on Reinforcement Learning and Word Unit Segmentation
IEEE International Conference on Acoustics Speech and Signal Processing · 2020-04-09
Shengzhou Gao, Wenxin Hou, Tomohiro Tanaka, Takahiro Shinozaki
Read original paper ↗ ·Deep reinforcement learning for the control of microbial co-cultures in bioreactors
PLoS Computational Biology · 2020-04-10
Neythen J. Treloar, Alex J. H. Fedorec, Brian Ingalls, Chris P. Barnes
Read original paper ↗ ·ChemOS: An orchestration software to democratize autonomous discovery
PLoS ONE · 2020-04-16
Loı̈c M. Roch, Florian Häse, Christoph Kreisbeck, Teresa Tamayo-Mendoza, Lars P. E. Yunker, Jason E. Hein, Alán Aspuru‐Guzik
Read original paper ↗ ·Evolving the Materials Genome: How Machine Learning Is Fueling the Next Generation of Materials Discovery
Annual Review of Materials Research · 2020-04-21
Changwon Suh, Clyde Fare, James A. Warren, Edward O. Pyzer‐Knapp
Read original paper ↗ ·Microfluidic Synthesis of Luminescent and Plasmonic Nanoparticles: Fast, Efficient, and Data‐Rich
Advanced Materials Technologies · 2020-05-10
Julia Nette, Philip D. Howes, Andrew J. deMello
Read original paper ↗ ·A Comparative Study of Model-Free Reinforcement Learning Approaches
Advances in intelligent systems and computing · 2020-05-25
Anant Moudgalya, Ayman Shafi, B. Amulya Arun
Read original paper ↗ ·Artificial Chemist: An Autonomous Quantum Dot Synthesis Bot
Advanced Materials · 2020-06-04
Robert W. Epps, Michael Bowen, Amanda A. Volk, Kameel Abdel‐Latif, Suyong Han, Kristofer G. Reyes, Aram Amassian, Milad Abolhasani
Read original paper ↗ ·Deep Deterministic Policy Gradient for Portfolio Management
IEEE Congress on Information Science and Technology (CiSt) · 2020-06-05
Firdaous Khemlichi, Hiba Chougrad, Youness Idrissi Khamlichi, Abdessamad El Boushaki, Safae Elhaj Ben Ali
Read original paper ↗ ·Big-Data Science in Porous Materials: Materials Genomics and Machine Learning
Chemical Reviews · 2020-06-10
Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit
Read original paper ↗ ·"I’m Sorry Dave, I’m Afraid I Can’t Do That" Deep Q-Learning from Forbidden Actions
Unknown journal · 2020-07-01
Mathieu Seurin, Philippe Preux, Olivier Pietquin
Read original paper ↗ ·Machine-learning-based simulation and fed-batch control of cyanobacterial-phycocyanin production in Plectonema by artificial neural network and deep reinforcement learning
Computers & Chemical Engineering · 2020-07-13
Yan Ma, Daniel Noreña-Caro, Alexandria J. Adams, Tyler B. Brentzel, José A. Romagnoli, Michael G. Benton
Read original paper ↗ ·A Prediction of Future States: AI-powered Chemical Innovation for Defense Applications
Royal Society of Chemistry eBooks · 2020-07-15
Tyler S. Stukenbroeker, Jonathan Clausen
Read original paper ↗ ·Machine Learning for Polymer Swelling in Liquids
ACS Applied Polymer Materials · 2020-07-20
Qisong Xu, Jianwen Jiang
Read original paper ↗ ·Introduction: An Overview of AI in Oncology Drug Discovery and Development
IntechOpen eBooks · 2020-09-09
Kristofer Linton‐Reid
Read original paper ↗ ·Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning
arXiv (Cornell University) · 2020-09-14
Pankaj Rajak, Aravind Krishnamoorthy, Ankit Mishra, Rajiv K. Kalia, Aiichiro Nakano, Priya D. Vashishta
Read original paper ↗ ·Machine learning-based discrete element reaction model for predicting the dechlorination of poly (vinyl chloride) in NaOH/ethylene glycol solvent with ball milling
Chemical Engineering Journal Advances · 2020-09-21
Jiaqi Lu, Siqingaowa Borjigin, Shogo Kumagai, Tomohito Kameda, Yuko Saito, Toshiaki Yoshioka
Read original paper ↗ ·Multithreaded scheduling for program segments based on chemical reaction optimizer
Soft Computing · 2020-09-21
Basel A. Mahafzah, Riad Jabri, Omayya Murad
Read original paper ↗ ·Reinforcement learning based optimization of process chromatography for continuous processing of biopharmaceuticals
Chemical Engineering Science · 2020-09-26
Saxena Nikita, Anamika Tiwari, Deepak Sonawat, Hariprasad Kodamana, Anurag Singh Rathore
Read original paper ↗ ·Functional test generation from UI test scenarios using reinforcement learning for android applications
Software Testing Verification and Reliability · 2020-10-05
Yavuz Köroglu, Alper Şen
Read original paper ↗ ·