A GPT‐4 Reticular Chemist for Guiding MOF Discovery

Z Zheng, Z Rong, N Rampal, C Borgs… - Angewandte Chemie …, 2023 - Wiley Online Library
We present a new framework integrating the AI model GPT‐4 into the iterative process of
reticular chemistry experimentation, leveraging a cooperative workflow of interaction …

[HTML][HTML] An ecosystem for digital reticular chemistry

KM Jablonka, AS Rosen, AS Krishnapriyan, B Smit - 2023 - ACS Publications
The vastness of the materials design space makes it impractical to explore using traditional
brute-force methods, particularly in reticular chemistry. However, machine learning has …

[HTML][HTML] Recent advances in computational modeling of MOFs: From molecular simulations to machine learning

H Demir, H Daglar, HC Gulbalkan, GO Aksu… - Coordination Chemistry …, 2023 - Elsevier
The reticular chemistry of metal–organic frameworks (MOFs) allows for the generation of an
almost boundless number of materials some of which can be a substitute for the traditionally …

ChatGPT chemistry assistant for text mining and the prediction of MOF synthesis

Z Zheng, O Zhang, C Borgs, JT Chayes… - Journal of the …, 2023 - ACS Publications
We use prompt engineering to guide ChatGPT in the automation of text mining of metal–
organic framework (MOF) synthesis conditions from diverse formats and styles of the …

Design of MOFs and intellectual content in reticular chemistry: a personal view

M O'Keeffe - Chemical Society Reviews, 2009 - pubs.rsc.org
Design of MOFs and intellectual content in reticular chemistry: a personal view - Chemical
Society Reviews (RSC Publishing) DOI:10.1039/B802802H Royal Society of Chemistry View …

Secondary building units as the turning point in the development of the reticular chemistry of MOFs

MJ Kalmutzki, N Hanikel, OM Yaghi - Science advances, 2018 - science.org
The secondary building unit (SBU) approach was a turning point in the discovery of
permanently porous metal-organic frameworks (MOFs) and in launching the field of reticular …

The promise and pitfalls of AI for molecular and materials synthesis

N David, W Sun, CW Coley - Nature Computational Science, 2023 - nature.com
As artificial intelligence (AI) proliferates, synthetic chemistry stands to benefit from its
progress. Despite hidden variables and 'unknown unknowns' in datasets that may impede …

[HTML][HTML] Reticular chemistry in all dimensions

OM Yaghi - ACS central science, 2019 - ACS Publications
Whether we are pursuing chemical reactions or studying the properties of materials,
inevitably we seek to know and understand the geometrical aspects of chemical structures …

Molecular machine learning: the future of synthetic chemistry?

PM Pflüger, F Glorius - Angewandte Chemie International …, 2020 - Wiley Online Library
During the last decade, modern machine learning has found its way into synthetic chemistry.
Some long‐standing challenges, such as computer‐aided synthesis planning (CASP), have …

[HTML][HTML] The reticular chemist

OM Yaghi - Nano Letters, 2020 - ACS Publications
I was recently asked by a science reporter whether I am an organic or inorganic chemist. I
found myself saying that I am a reticular chemist. The reporter responded: I really like that …