Challenges and opportunities of polymer design with machine learning and high throughput experimentation

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

(2018) Rafael Gómez-Bombarelli et al.   ACS Central Science

Machine learning for quantum dynamics: deep learning of excitation energy transfer properties

(2017) Florian Häse et al.   Chemical Science

Photothermally responsive gold nanoparticle conjugated polymer-grafted porous hollow silica nanocapsules

(2016) David Paramelle et al.   CHEMICAL COMMUNICATIONS

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

(2016) Rafael Gómez-Bombarelli et al.   NATURE MATERIALS

Modulating the cellular uptake of platinum drugs with glycopolymers

(2016) Aydan Dag et al.   Polymer Chemistry

A polymer dataset for accelerated property prediction and design

(2016) Tran Doan Huan et al.   Scientific Data

Autonomy in materials research: a case study in carbon nanotube growth

(2016) Pavel Nikolaev et al.   npj Computational Materials

Machine Learning Strategy for Accelerated Design of Polymer Dielectrics

(2016) Arun Mannodi-Kanakkithodi et al.   Scientific Reports

Poly(N-isopropylacrylamide) Phase Diagrams: Fifty Years of Research

(2015) Avraham Halperin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Best bang for your buck: GPU nodes for GROMACS biomolecular simulations

(2015) Carsten Kutzner et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Deep learning

(2015) Yann LeCun et al.   NATURE

The influence of polymer architecture on in vitro pDNA transfection

(2015) Alexandra C. Rinkenauer et al.   Journal of Materials Chemistry B

Effect of polymer architecture on the intrinsic self-healing character of polymers

(2014) Santiago J. Garcia   EUROPEAN POLYMER JOURNAL

Synthesis of thermo-responsive glycopolymers via copper catalysed azide–alkyne ‘click’ chemistry for inhibition of ricin: the effect of spacer between polymer backbone and galactose

(2011) Jatin Kumar et al.   Polymer Chemistry

Complex polymer architectures via RAFT polymerization: From fundamental process to extending the scope using click chemistry and nature's building blocks

(2011) Andrew Gregory et al.   PROGRESS IN POLYMER SCIENCE

Emerging applications of stimuli-responsive polymer materials

(2010) Martien A. Cohen Stuart et al.   NATURE MATERIALS