Literature DB >> 34394961

Machine learning in combinatorial polymer chemistry.

Adam J Gormley1, Michael A Webb2.   

Abstract

The design of new functional polymers depends on the successful navigation of their structure-function landscapes. Advances in combinatorial polymer chemistry and machine learning provide exciting opportunities for the engineering of fit-for-purpose polymeric materials.

Entities:  

Year:  2021        PMID： 34394961      PMCID： PMC8356908          DOI： 10.1038/s41578-021-00282-3

Source DB:  PubMed          Journal:  Nat Rev Mater        ISSN： 2058-8437            Impact factor:   76.679


  6 in total

1.  Semi-automated synthesis and screening of a large library of degradable cationic polymers for gene delivery.

Authors:  Daniel G Anderson; David M Lynn; Robert Langer
Journal:  Angew Chem Int Ed Engl       Date:  2003-07-14       Impact factor: 15.336

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

Authors:  Rafael Gómez-Bombarelli; Jorge Aguilera-Iparraguirre; Timothy D Hirzel; David Duvenaud; Dougal Maclaurin; Martin A Blood-Forsythe; Hyun Sik Chae; Markus Einzinger; Dong-Gwang Ha; Tony Wu; Georgios Markopoulos; Soonok Jeon; Hosuk Kang; Hiroshi Miyazaki; Masaki Numata; Sunghan Kim; Wenliang Huang; Seong Ik Hong; Marc Baldo; Ryan P Adams; Alán Aspuru-Guzik
Journal:  Nat Mater       Date:  2016-08-08       Impact factor: 43.841

Review 3.  Up in the air: oxygen tolerance in controlled/living radical polymerisation.

Authors:  Jonathan Yeow; Robert Chapman; Adam J Gormley; Cyrille Boyer
Journal:  Chem Soc Rev       Date:  2018-06-18       Impact factor: 54.564

4.  Targeted sequence design within the coarse-grained polymer genome.

Authors:  Michael A Webb; Nicholas E Jackson; Phwey S Gil; Juan J de Pablo
Journal:  Sci Adv       Date:  2020-10-21       Impact factor: 14.136

5.  BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules.

Authors:  Tzyy-Shyang Lin; Connor W Coley; Hidenobu Mochigase; Haley K Beech; Wencong Wang; Zi Wang; Eliot Woods; Stephen L Craig; Jeremiah A Johnson; Julia A Kalow; Klavs F Jensen; Bradley D Olsen
Journal:  ACS Cent Sci       Date:  2019-09-12       Impact factor: 14.553

6.  Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation.

Authors:  Kirill Shmilovich; Rachael A Mansbach; Hythem Sidky; Olivia E Dunne; Sayak Subhra Panda; John D Tovar; Andrew L Ferguson
Journal:  J Phys Chem B       Date:  2020-03-30       Impact factor: 2.991
  6 in total
  5 in total

1.  Machine Learning on a Robotic Platform for the Design of Polymer-Protein Hybrids.

Authors:  Matthew J Tamasi; Roshan A Patel; Carlos H Borca; Shashank Kosuri; Heloise Mugnier; Rahul Upadhya; N Sanjeeva Murthy; Michael A Webb; Adam J Gormley
Journal:  Adv Mater       Date:  2022-06-11       Impact factor: 32.086

2.  Machine-Assisted Discovery of Chondroitinase ABC Complexes toward Sustained Neural Regeneration.

Authors:  Shashank Kosuri; Carlos H Borca; Heloise Mugnier; Matthew Tamasi; Roshan A Patel; Isabel Perez; Suneel Kumar; Zachary Finkel; Rene Schloss; Li Cai; Martin L Yarmush; Michael A Webb; Adam J Gormley
Journal:  Adv Healthc Mater       Date:  2022-02-21       Impact factor: 11.092

3.  Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials.

Authors:  Fabian Grünewald; Riccardo Alessandri; Peter C Kroon; Luca Monticelli; Paulo C T Souza; Siewert J Marrink
Journal:  Nat Commun       Date:  2022-01-10       Impact factor: 14.919

Review 4.  Immunostimulatory Polymers as Adjuvants, Immunotherapies, and Delivery Systems.

Authors:  Adam M Weiss; Samir Hossainy; Stuart J Rowan; Jeffrey A Hubbell; Aaron P Esser-Kahn
Journal:  Macromolecules       Date:  2022-08-04       Impact factor: 6.057

5.  Implicitly perturbed Hamiltonian as a class of versatile and general-purpose molecular representations for machine learning.

Authors:  Amin Alibakhshi; Bernd Hartke
Journal:  Nat Commun       Date:  2022-03-10       Impact factor: 17.694
  5 in total

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