Transition to sustainable chemistry through digitalization

Bayesian reaction optimization as a tool for chemical synthesis

(2021) Benjamin J. Shields et al.   NATURE

We need a global science-policy body on chemicals and waste

(2021) Zhanyun Wang et al.   SCIENCE

Exposure and toxicity characterization of chemical emissions and chemicals in products: global recommendations and implementation in USEtox

(2021) Peter Fantke et al.   INTERNATIONAL JOURNAL OF LIFE CYCLE ASSESSMENT

Enabling a circular economy for chemicals in plastics

(2021) Nicolò Aurisano et al.   Current Opinion in Green and Sustainable Chemistry

A Deep Learning Approach to Antibiotic Discovery

(2020) Jonathan M. Stokes et al.   CELL

Improved protein structure prediction using potentials from deep learning

(2020) Andrew W. Senior et al.   NATURE

Designing for a green chemistry future

(2020) Julie B. Zimmerman et al.   SCIENCE

The role of artificial intelligence in achieving the Sustainable Development Goals

(2020) Ricardo Vinuesa et al.   Nature Communications

An (Eco)Toxicity Life Cycle Impact Assessment Framework for Per- And Polyfluoroalkyl Substances

(2020) Hanna Holmquist et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Simulation-Based Estimates of Life Cycle Inventory Gate-to-Gate Process Energy Use for 151 Organic Chemical Syntheses

(2020) Abhijeet G. Parvatker et al.   ACS Sustainable Chemistry & Engineering

High Throughput Risk and Impact Screening of Chemicals in Consumer Products

(2020) Olivier Jolliet et al.   RISK ANALYSIS

Predictive maintenance in the Industry 4.0: A systematic literature review

(2020) Tiago Zonta et al.   COMPUTERS & INDUSTRIAL ENGINEERING

Human Health and Ocean Pollution

(2020) Philip J. Landrigan et al.   Annals of Global Health

Circular chemistry to enable a circular economy

(2019) Tom Keijer et al.   Nature Chemistry

Autonomous Molecular Design: Then and Now

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

Climate change mitigation potential of carbon capture and utilization in the chemical industry

(2019) Arne Kätelhön et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Environmental hotspots of lactic acid production systems

(2019) Ólafur Ögmundarson et al.   Global Change Biology Bioenergy

Getting the chemicals right: Toward characterizing toxicity and ecotoxicity impacts of inorganic substances

(2019) Nienke Kirchhübel et al.   JOURNAL OF CLEANER PRODUCTION

Autonomous discovery in the chemical sciences part II: Outlook

(2019) Connor W Coley et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Autonomous discovery in the chemical sciences part I: Progress

(2019) Klavs F. Jensen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Toward effective use of REACH data for science and policy

(2019) Peter Fantke et al.   ENVIRONMENT INTERNATIONAL

Building a European exposure science strategy

(2019) Peter Fantke et al.   Journal of Exposure Science and Environmental Epidemiology

Towards circular economy: integration of bio-waste into chemical supply chain

(2019) Zhen Guo et al.   Current Opinion in Chemical Engineering

The Molecular Industrial Revolution: Automated Synthesis of Small Molecules

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

Predicting the cradle-to-gate environmental impact of chemicals from molecular descriptors and thermodynamic properties via mixed-integer programming

(2018) Raul Calvo-Serrano et al.   COMPUTERS & CHEMICAL ENGINEERING

Multiscale Spatial Modeling of Human Exposure from Local Sources to Global Intake

(2018) Cedric Wannaz et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Estimating Missing Unit Process Data in Life Cycle Assessment Using a Similarity-Based Approach

(2018) Ping Hou et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

The circular economy: New or Refurbished as CE 3.0? — Exploring Controversies in the Conceptualization of the Circular Economy through a Focus on History and Resource Value Retention Options

(2018) Denise Reike et al.   RESOURCES CONSERVATION AND RECYCLING

A synthetic polymer system with repeatable chemical recyclability

(2018) Jian-Bo Zhu et al.   SCIENCE

Chemical storage of renewable energy

(2018) Joel W. Ager et al.   SCIENCE

“Found in Translation”: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models

(2018) Philippe Schwaller et al.   Chemical Science

Source-to-exposure assessment with the Pangea multi-scale framework – case study in Australia

(2018) Cedric Wannaz et al.   Environmental Science-Processes & Impacts

Computational Chemical Synthesis Analysis and Pathway Design

(2018) Fan Feng et al.   Frontiers in Chemistry

Toward Harmonizing Ecotoxicity Characterization in Life Cycle Impact Assessment

(2018) Peter Fantke et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Dynamic Optimization and Non-linear Model Predictive Control to Achieve Targeted Particle Morphologies

(2018) Wolfgang Gerlinger et al.   CHEMIE INGENIEUR TECHNIK

Cybersecurity for Industry 4.0 in the current literature: A reference framework

(2018) Marianna Lezzi et al.   COMPUTERS IN INDUSTRY

Rapid Life-Cycle Impact Screening Using Artificial Neural Networks

(2017) Runsheng Song et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction

(2017) Connor W. Coley et al.   Journal of Chemical Information and Modeling

Chemistry 4.0 Challenges and Solutions for the Digital Transformation

(2016) Jan von Knop   CROATICA CHEMICA ACTA

A proposal to measure absolute environmental sustainability in life cycle assessment

(2016) Anders Bjørn et al.   ECOLOGICAL INDICATORS

Circular economy design considerations for research and process development in the chemical sciences

(2016) James H. Clark et al.   GREEN CHEMISTRY

The survey of key technologies in hydrogen energy storage

(2016) Fan Zhang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Social and economic impacts of climate

(2016) T. A. Carleton et al.   SCIENCE

Eco-epidemiology of aquatic ecosystems: Separating chemicals from multiple stressors

(2016) Leo Posthuma et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Continuous flow Buchwald–Hartwig amination of a pharmaceutical intermediate

(2016) Polina Yaseneva et al.   Reaction Chemistry & Engineering

Exploring the planetary boundary for chemical pollution

(2015) Miriam L. Diamond et al.   ENVIRONMENT INTERNATIONAL

The role of chemistry in inventing a sustainable future

(2015) Stephen A. Matlin et al.   Nature Chemistry

Planetary boundaries: Guiding human development on a changing planet

(2015) W. Steffen et al.   SCIENCE

Efficient reduction of bromates using carbon nanofibre supported catalysts: Experimental and a comparative life cycle assessment study

(2014) Polina Yaseneva et al.   CHEMICAL ENGINEERING JOURNAL

A conceptual framework for description of complexity in intensive chemical processes

(2011) Alexei A. Lapkin et al.   CHEMICAL ENGINEERING AND PROCESSING

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Advanced Materials for Energy Storage

(2010) Chang Liu et al.   ADVANCED MATERIALS

Systems chemistry

(2007) R. Frederick Ludlow et al.   CHEMICAL SOCIETY REVIEWS