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Artificial Chemist: An Autonomous Quantum Dot Synthesis Bot
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June 2020 |
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Autonomous Nanocrystal Doping by Self‐Driving Fluidic Micro‐Processors
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March 2022 |
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Machine learning in materials science
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August 2019 |
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Machine learning methods in chemoinformatics: Machine learning methods in chemoinformatics
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February 2014 |
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A logical calculus of the ideas immanent in nervous activity
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December 1943 |
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The changing science of machine learning
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February 2011 |
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AI and Its New Winter: from Myths to Realities
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February 2020 |
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An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO2
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March 2016 |
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Neural networks and statistical techniques: A review of applications
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January 2009 |
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Machine Learning in Computer-Aided Synthesis Planning
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April 2018 |
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Machine Learning for Materials Scientists: An Introductory Guide toward Best Practices
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May 2020 |
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Four Generations of High-Dimensional Neural Network Potentials
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March 2021 |
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Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles
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October 2017 |
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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
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January 2018 |
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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
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February 1988 |
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Human-level control through deep reinforcement learning
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February 2015 |
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Double-slit photoelectron interference in strong-field ionization of the neon dimer
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January 2019 |
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Random forest machine learning models for interpretable X-ray absorption near-edge structure spectrum-property relationships
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July 2020 |
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Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy
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January 2021 |
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Best practices in machine learning for chemistry
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May 2021 |
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Machine learning for molecular and materials science
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July 2018 |
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Re-epithelialization and immune cell behaviour in an ex vivo human skin model
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January 2020 |
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Gaussian processes for autonomous data acquisition at large-scale synchrotron and neutron facilities
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July 2021 |
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Machine learning enabling high-throughput and remote operations at large-scale user facilities
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January 2022 |
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Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations
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January 2011 |
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Atom-centered symmetry functions for constructing high-dimensional neural network potentials
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February 2011 |
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Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
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Accurate, affordable, and generalizable machine learning simulations of transition metal x-ray absorption spectra using the XANESNET deep neural network
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April 2022 |
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Graph networks for molecular design
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March 2021 |
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I.—Computing Machinery and Intelligence
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October 1950 |
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Machine-Learning X-Ray Absorption Spectra to Quantitative Accuracy
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April 2020 |
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Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
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April 2007 |
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Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems
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September 2015 |
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Using a machine learning approach to determine the space group of a structure from the atomic pair distribution function
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June 2019 |
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Hands-On Bayesian Neural Networks—A Tutorial for Deep Learning Users
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May 2022 |
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Self-driving laboratory for accelerated discovery of thin-film materials
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May 2020 |
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Machine learning: Trends, perspectives, and prospects
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July 2015 |
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Inverse molecular design using machine learning: Generative models for matter engineering
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July 2018 |
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Opportunities and Challenges for Machine Learning in Materials Science
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July 2020 |
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A survey of transfer learning
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May 2016 |
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The machine learning revolution in materials?
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July 2019 |
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Artificial intelligence for materials discovery
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July 2019 |
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Advances in De Novo Drug Design: From Conventional to Machine Learning Methods
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February 2021 |