Automation and data-driven design of polymer therapeutics

R Upadhya, S Kosuri, M Tamasi, TA Meyer… - Advanced drug delivery …, 2021 - Elsevier
Polymers are uniquely suited for drug delivery and biomaterial applications due to tunable
structural parameters such as length, composition, architecture, and valency. To facilitate …

Applied machine learning as a driver for polymeric biomaterials design

SM McDonald, EK Augustine, Q Lanners… - Nature …, 2023 - nature.com
Polymers are ubiquitous to almost every aspect of modern society and their use in medical
products is similarly pervasive. Despite this, the diversity in commercial polymers used in …

Data-driven design of polymer-based biomaterials: high-throughput simulation, experimentation, and machine learning

RA Patel, MA Webb - ACS Applied Bio Materials, 2023 - ACS Publications
Polymers, with the capacity to tunably alter properties and response based on manipulation
of their chemical characteristics, are attractive components in biomaterials. Nevertheless …

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

JN Kumar, Q Li, Y Jun - Mrs Communications, 2019 - cambridge.org
In this perspective, the authors challenge the status quo of polymer innovation. The authors
first explore how research in polymer design is conducted today, which is both time …

Data-driven methods for accelerating polymer design

TK Patra - ACS Polymers Au, 2021 - ACS Publications
Optimal design of polymers is a challenging task due to their enormous chemical and
configurational space. Recent advances in computations, machine learning, and increasing …

Machine learning models to accelerate the design of polymeric long-acting injectables

P Bannigan, Z Bao, RJ Hickman, M Aldeghi… - Nature …, 2023 - nature.com
Long-acting injectables are considered one of the most promising therapeutic strategies for
the treatment of chronic diseases as they can afford improved therapeutic efficacy, safety …

Polymers for biomedical applications: The importance of hydrophobicity in directing biological interactions and application efficacy

AK Pearce, RK O'Reilly - Biomacromolecules, 2021 - ACS Publications
The past decades have seen significant research effort in the field of polymers for a range of
biomedical applications, driven by the promising prospect of these materials for realizing …

Navigating the Expansive Landscapes of Soft Materials: A User Guide for High-Throughput Workflows

EC Day, SS Chittari, MP Bogen, AS Knight - ACS Polymers Au, 2023 - ACS Publications
Synthetic polymers are highly customizable with tailored structures and functionality, yet this
versatility generates challenges in the design of advanced materials due to the size and …

[图书][B] De novo molecular design

G Schneider - 2013 - books.google.com
Systematically examining current methods and strategies, this ready reference covers a
wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and …

Sequence-defined synthetic polymers for new-generation functional biomaterials

Z Deng, Q Shi, J Tan, J Hu, S Liu - ACS Materials Letters, 2021 - ACS Publications
Synthetic polymers have been extensively exploited for biomedical and pharmacological
applications, spanning from surgical devices, diagnostics, tissue engineering, regenerative …