From Drug Molecules to Thermoset Shape Memory Polymers: A Machine Learning Approach

High-temperature shape memory photopolymer with intrinsic flame retardancy and record-high recovery stress

(2021) Xiaming Feng et al.   Applied Materials Today

A phenomenological constitutive model for semicrystalline two-way shape memory polymers

(2020) Cheng Yan et al.   INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES

A mechanism based four-chain constitutive model for enthalpy driven thermoset shape memory polymers with finite deformation

(2020) Cheng Yan et al.   JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME

From chemical structure to quantitative polymer properties prediction through convolutional neural networks

(2020) Luis A. Miccio et al.   POLYMER

COVID-19 Coronavirus Vaccine Design Using Reverse Vaccinology and Machine Learning

(2020) Edison Ong et al.   Frontiers in Immunology

Versatile Phosphate Diester-Based Flame Retardant Vitrimers via Catalyst-Free Mixed Transesterification

(2020) Xiaming Feng et al.   ACS Applied Materials & Interfaces

Loss circulation prevention in geothermal drilling by shape memory polymer

(2020) Musaab Magzoub et al.   GEOTHERMICS

Dirty engineering data-driven inverse prediction machine learning model

(2020) Jin-Woong Lee et al.   Scientific Reports

Machine learning assisted discovery of new thermoset shape memory polymers based on a small training dataset

(2020) Cheng Yan et al.   POLYMER

Deep CNN transferred from VAE and GAN for classifying irritating noise in automobile

(2020) Jin-Young Kim et al.   NEUROCOMPUTING

Design oriented constitutive modeling of amorphous shape memory polymers and Its application to multiple length scale lattice structures

(2019) Cheng Yan et al.   Smart Materials and Structures

A deep convolutional neural network for the estimation of gas chromatographic retention indices

(2019) Dmitriy D. Matyushin et al.   JOURNAL OF CHROMATOGRAPHY A

4D Printing of Recyclable Lightweight Architectures Using High Recovery Stress Shape Memory Polymer

(2019) Ang Li et al.   Scientific Reports

DeepBindRG: a deep learning based method for estimating effective protein–ligand affinity

(2019) Haiping Zhang et al.   PeerJ

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

(2019) Stephen Wu et al.   npj Computational Materials

BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules

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

High enthalpy storage thermoset network with giant stress and energy output in rubbery state

(2018) Jizhou Fan et al.   Nature Communications

Recyclable thermoset shape memory polymers with high stress and energy output via facile UV-curing

(2018) Ang Li et al.   Journal of Materials Chemistry A

Expandable proppants to moderate production drop in hydraulically fractured wells

(2018) Livio Santos et al.   Journal of Natural Gas Science and Engineering

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

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

Convolutional neural network based on SMILES representation of compounds for detecting chemical motif

(2018) Maya Hirohara et al.   BMC BIOINFORMATICS

Thermally-triggered free-standing shape-memory actuators

(2017) Alberto Belmonte et al.   EUROPEAN POLYMER JOURNAL

High Performance Metal Halide Perovskite Light-Emitting Diode: From Material Design to Device Optimization

(2017) Qingsong Shan et al.   Small

Machine-learned approximations to Density Functional Theory Hamiltonians

(2017) Ganesh Hegde et al.   Scientific Reports

The ChEMBL database in 2017

(2016) Anna Gaulton et al.   NUCLEIC ACIDS RESEARCH

UniProt: the universal protein knowledgebase

(2016)   NUCLEIC ACIDS RESEARCH

Stress memory of a thermoset shape memory polymer

(2015) Anqi Wang et al.   JOURNAL OF APPLIED POLYMER SCIENCE

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Thermomechanical constitutive modelling of shape memory polymer including continuum functional and mechanical damage effects

(2014) A. Shojaei et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Cyclic and monotonic testing of free and constrained recovery properties of a chemically crosslinked acrylate

(2013) J. Sebastian Arrieta et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database

(2013) Mariusz Butkiewicz et al.   MOLECULES

A review of stimuli-responsive shape memory polymer composites

(2013) Harper Meng et al.   POLYMER

A phenomenological thermodynamic model for the chemo-responsive shape memory effect in polymers based on Flory–Huggins solution theory

(2013) Haibao Lu et al.   Polymer Chemistry

On the origin of the Vogel–Fulcher–Tammann law in the thermo-responsive shape memory effect of amorphous polymers

(2013) Haibao Lu et al.   Smart Materials and Structures

Partially constrained recovery of (meth)acrylate shape-memory polymer networks

(2012) Nishant Lakhera et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Thermomechanical behavior of thermoset shape memory polymer programmed by cold-compression: Testing and constitutive modeling

(2011) Guoqiang Li et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Thermomechanical Characterization of Shape Memory Polymer–Based Self-Healing Syntactic Foam Sealant for Expansion Joints

(2011) Guoqiang Li et al.   JOURNAL OF TRANSPORTATION ENGINEERING

Qualitative separation of the physical swelling effect on the recovery behavior of shape memory polymer

(2010) Haibao Lu et al.   EUROPEAN POLYMER JOURNAL

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Effects of thermal rates on the thermomechanical behaviors of amorphous shape memory polymers

(2010) Francisco Castro et al.   MECHANICS OF TIME-DEPENDENT MATERIALS

Fiber reinforced shape-memory polymer composite and its application in a deployable hinge

(2009) Xin Lan et al.   Smart Materials and Structures

Strong, Tailored, Biocompatible Shape-Memory Polymer Networks

(2008) Christopher M. Yakacki et al.   ADVANCED FUNCTIONAL MATERIALS