Machine-Learning-Guided Discovery of 19F MRI Agents Enabled by Automated Copolymer Synthesis

Data-Driven Strategies for Accelerated Materials Design

(2021) Robert Pollice et al.   ACCOUNTS OF CHEMICAL RESEARCH

PolyDAT: A Generic Data Schema for Polymer Characterization

(2021) Tzyy-Shyang Lin et al.   Journal of Chemical Information and Modeling

Bayesian reaction optimization as a tool for chemical synthesis

(2021) Benjamin J. Shields et al.   NATURE

Continuous Gas–Liquid–Solid Slug Flow for Sustainable Heterogeneously Catalyzed PET-RAFT Polymerization

(2021) Minglei Li et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Polymerizations in Continuous Flow: Recent Advances in the Synthesis of Diverse Polymeric Materials

(2020) Marcus H. Reis et al.   ACS Macro Letters

Partially fluorinated copolymers as oxygen sensitive 19F MRI agents

(2020) Nicholas G Taylor et al.   CHEMISTRY-A EUROPEAN JOURNAL

General route to design polymer molecular weight distributions through flow chemistry

(2020) Dylan J. Walsh et al.   Nature Communications

Efficient Polymer-Mediated Delivery of Gene-Editing Ribonucleoprotein Payloads through Combinatorial Design, Parallelized Experimentation, and Machine Learning

(2020) Ramya Kumar et al.   ACS Nano

Accelerated Development of Colloidal Nanomaterials Enabled by Modular Microfluidic Reactors: Toward Autonomous Robotic Experimentation

(2020) Amanda A. Volk et al.   ADVANCED MATERIALS

A Recommender System for Inverse Design of Polycarbonates and Polyesters

(2020) Nathaniel H. Park et al.   MACROMOLECULES

On-the-fly closed-loop materials discovery via Bayesian active learning

(2020) A. Gilad Kusne et al.   Nature Communications

Polymer informatics: Current status and critical next steps

(2020) Lihua Chen et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

How to explore chemical space using algorithms and automation

(2019) Piotr S. Gromski et al.   Nature Reviews Chemistry

Modeling and Simulations of Polymers: A Roadmap

(2019) Thomas E. Gartner et al.   MACROMOLECULES

Autonomous Molecular Design: Then and Now

(2019) Tanja Dimitrov et al.   ACS Applied Materials & Interfaces

Programmable High-Throughput Platform for the Rapid and Scalable Synthesis of Polyester and Polycarbonate Libraries

(2019) Binhong Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Influence of Residence Time Distribution on Continuous-Flow Polymerization

(2019) Marcus H. Reis et al.   MACROMOLECULES

Exploiting machine learning for end-to-end drug discovery and development

(2019) Sean Ekins et al.   NATURE MATERIALS

Recent advances in machine learning towards multiscale soft materials design

(2019) Nicholas E Jackson et al.   Current Opinion in Chemical Engineering

Organic Photocatalyst for ppm-Level Visible-Light-Driven Reversible Addition–Fragmentation Chain-Transfer (RAFT) Polymerization with Excellent Oxygen Tolerance

(2019) Yuna Song et al.   MACROMOLECULES

Droplet-Flow Photopolymerization Aided by Computer: Overcoming the Challenges of Viscosity and Facilitating the Generation of Copolymer Libraries

(2019) Yang Zhou et al.   MACROMOLECULES

Active-learning and materials design: the example of high glass transition temperature polymers

(2019) Chiho Kim et al.   MRS Communications

Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm

(2019) Stephen Wu et al.   npj Computational Materials

A robotic platform for flow synthesis of organic compounds informed by AI planning

(2019) Connor W. Coley et al.   SCIENCE

Data‐Driven Materials Science: Status, Challenges, and Perspectives

(2019) Lauri Himanen et al.   Advanced Science

BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules

(2019) Tzyy-Shyang Lin et al.   ACS Central Science

Synthetic organic chemistry driven by artificial intelligence

(2019) A. Filipa de Almeida et al.   Nature Reviews Chemistry

Machine-Learning-Based Predictive Modeling of Glass Transition Temperatures: A Case of Polyhydroxyalkanoate Homopolymers and Copolymers

(2019) Ghanshyam Pilania et al.   Journal of Chemical Information and Modeling

Purifying Low‐Volume Combinatorial Polymer Libraries with Gel Filtration Columns

(2019) Rahul Upadhya et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Prediction and optimization of epoxy adhesive strength from a small dataset through active learning

(2019) Sirawit Pruksawan et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Machine Learning for Organic Synthesis: Are Robots Replacing Chemists?

(2018) Boris Maryasin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Molecular Industrial Revolution: Automated Synthesis of Small Molecules

(2018) Melanie Trobe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Continuous-flow chemistry for the determination of comonomer reactivity ratios

(2018) Marcus H. Reis et al.   Polymer Chemistry

Predicting reaction performance in C–N cross-coupling using machine learning

(2018) Derek T. Ahneman et al.   SCIENCE

Multi-objective Optimization for Materials Discovery via Adaptive Design

(2018) Abhijith M. Gopakumar et al.   Scientific Reports

Accelerating the discovery of materials for clean energy in the era of smart automation

(2018) Daniel P. Tabor et al.   Nature Reviews Materials

Enhanced Performance of Polymeric 19F MRI Contrast Agents through Incorporation of Highly Water-Soluble Monomer MSEA

(2018) Changkui Fu et al.   MACROMOLECULES

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

(2018) Jarosław M. Granda et al.   NATURE

19F MRI of Polymer Nanogels Aided by Improved Segmental Mobility of Embedded Fluorine Moieties

(2018) Oyuntuya Munkhbat et al.   BIOMACROMOLECULES

Living in the Fast Lane—High Throughput Controlled/Living Radical Polymerization

(2018) Susan Oliver et al.   MACROMOLECULES

Fluorine-19 MRI for detection and quantification of immune cell therapy for cancer

(2018) Fanny Chapelin et al.   Journal for ImmunoTherapy of Cancer

PFPE-Based Polymeric 19F MRI Agents: A New Class of Contrast Agents with Outstanding Sensitivity

(2017) Cheng Zhang et al.   MACROMOLECULES

Controlling Molecular Weight Distributions through Photoinduced Flow Polymerization

(2017) Nathaniel Corrigan et al.   MACROMOLECULES

Application of oxygen tolerant PET-RAFT to polymerization-induced self-assembly

(2017) Gervase Ng et al.   Polymer Chemistry

Looped flow RAFT polymerization for multiblock copolymer synthesis

(2017) Agnès Kuroki et al.   Polymer Chemistry

Trithiocarbonates as intrinsic photoredox catalysts and RAFT agents for oxygen tolerant controlled radical polymerization

(2017) Q. Fu et al.   Polymer Chemistry

Thermoresponsive gels directly obtained via visible light-mediated polymerization-induced self-assembly with oxygen tolerance

(2017) Kaixuan Ren et al.   Polymer Chemistry

Controlled radical polymerization of vinyl ketones using visible light

(2017) In-Hwan Lee et al.   Polymer Chemistry

Emergent Properties of Giant Vesicles Formed by a Polymerization-Induced Self-Assembly (PISA) Reaction

(2017) Anders N. Albertsen et al.   Scientific Reports

Rapid Visible Light-Mediated Controlled Aqueous Polymerization with In Situ Monitoring

(2017) Jia Niu et al.   ACS Macro Letters

Polymer Informatics: Opportunities and Challenges

(2017) Debra J. Audus et al.   ACS Macro Letters

Photocontrolled RAFT Polymerization Mediated by a Supramolecular Catalyst

(2017) Liangliang Shen et al.   ACS Macro Letters

2-(Methylthio)ethyl Methacrylate: A Versatile Monomer for Stimuli Responsiveness and Polymerization-Induced Self-Assembly in the Presence of Air

(2017) Sihao Xu et al.   ACS Macro Letters

Selective Photoactivation: From a Single Unit Monomer Insertion Reaction to Controlled Polymer Architectures

(2016) Jiangtao Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fluorinated POSS-Star Polymers for19F MRI

(2016) Kewei Wang et al.   MACROMOLECULAR CHEMISTRY AND PHYSICS

Oxygen Tolerance in Living Radical Polymerization: Investigation of Mechanism and Implementation in Continuous Flow Polymerization

(2016) Nathaniel Corrigan et al.   MACROMOLECULES

Aqueous RAFT Photopolymerization with Oxygen Tolerance

(2016) Sivaprakash Shanmugam et al.   MACROMOLECULES

A Polymerization-Induced Self-Assembly Approach to Nanoparticles Loaded with Singlet Oxygen Generators

(2016) Jonathan Yeow et al.   MACROMOLECULES

Multifunctional hyperbranched polymers for CT/19F MRI bimodal molecular imaging

(2016) Kewei Wang et al.   Polymer Chemistry

Direct optical observations of vesicular self-assembly in large-scale polymeric structures during photocontrolled biphasic polymerization

(2016) Jan K. Szymański et al.   Polymer Chemistry

Metallocene-Containing Homopolymers and Heterobimetallic Block Copolymers via Photoinduced RAFT Polymerization

(2016) Peng Yang et al.   ACS Macro Letters

Natural RAFT Polymerization: Recyclable-Catalyst-Aided, Opened-to-Air, and Sunlight-Photolyzed RAFT Polymerizations

(2016) Jie Wang et al.   ACS Macro Letters

Ion-Responsive 19F MRI Contrast Agents for the Detection of Cancer Cells

(2016) Cheng Zhang et al.   ACS Sensors

Segmented Highly Branched Copolymers: Rationally Designed Macromolecules for Improved and Tunable 19F MRI

(2015) Kewei Wang et al.   BIOMACROMOLECULES

Simultaneous solvent screening and reaction optimization in microliter slugs

(2015) Brandon J. Reizman et al.   CHEMICAL COMMUNICATIONS

Exploiting Metalloporphyrins for Selective Living Radical Polymerization Tunable over Visible Wavelengths

(2015) Sivaprakash Shanmugam et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Visible Light Mediated Controlled Radical Polymerization in the Absence of Exogenous Radical Sources or Catalysts

(2015) Thomas G. McKenzie et al.   MACROMOLECULES

Ultrafast RAFT polymerization: multiblock copolymers within minutes

(2015) Guillaume Gody et al.   Polymer Chemistry

Organo-photocatalysts for photoinduced electron transfer-reversible addition–fragmentation chain transfer (PET-RAFT) polymerization

(2015) Jiangtao Xu et al.   Polymer Chemistry

Utilizing the electron transfer mechanism of chlorophyll a under light for controlled radical polymerization

(2015) Sivaprakash Shanmugam et al.   Chemical Science

19F Magnetic Resonance Imaging (MRI): From Design of Materials to Clinical Applications

(2014) Ilaria Tirotta et al.   CHEMICAL REVIEWS

PEG-Based Hyperbranched Polymer Theranostics: Optimizing Chemistries for Improved Bioconjugation

(2014) Aditya Ardana et al.   MACROMOLECULES

Photoinduced Electron Transfer–Reversible Addition–Fragmentation Chain Transfer (PET-RAFT) Polymerization of Vinyl Acetate and N-Vinylpyrrolidinone: Kinetic and Oxygen Tolerance Study

(2014) Sivaprakash Shanmugam et al.   MACROMOLECULES

Oxygen Tolerance Study of Photoinduced Electron Transfer–Reversible Addition–Fragmentation Chain Transfer (PET-RAFT) Polymerization Mediated by Ru(bpy)3Cl2

(2014) Jiangtao Xu et al.   MACROMOLECULES

pH-responsive star polymer nanoparticles: potential 19F MRI contrast agents for tumour-selective imaging

(2013) Kewei Wang et al.   Polymer Chemistry

Challenges in Multiscale Modeling of Polymer Dynamics

(2013) Ying Li et al.   Polymers

Microflow Technology in Polymer Synthesis

(2012) Christoph Tonhauser et al.   MACROMOLECULES

Increasing the Sensitivity of Magnetic Resonance Spectroscopy and Imaging

(2011) Andrew Webb   ANALYTICAL CHEMISTRY

Functional Hyperbranched Polymers: Toward Targetedin Vivo19F Magnetic Resonance Imaging Using Designed Macromolecules

(2010) Kristofer J. Thurecht et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

19F MRI for quantitative in vivo cell tracking

(2010) Mangala Srinivas et al.   TRENDS IN BIOTECHNOLOGY

Symmetry-Guided Design and Fluorous Synthesis of a Stable and Rapidly Excreted Imaging Tracer for19F MRI

(2009) Zhong-Xing Jiang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Magnetic resonance imaging in real time: Advances using radial FLASH

(2009) Shuo Zhang et al.   JOURNAL OF MAGNETIC RESONANCE IMAGING

Fluorine-containing nanoemulsions for MRI cell tracking

(2009) Jelena M. Janjic et al.   Wiley Interdisciplinary Reviews-Nanomedicine and Nanobiotechnology

Prediction of biological response for large combinatorial libraries of biodegradable polymers: Polymethacrylates as a test case

(2008) Vladyslav Kholodovych et al.   POLYMER