Papers citing Making the collective knowledge of chemistry open and machine actionable
Synergistic sorption strategies: Ionic liquids-modified MOF matrices for adsorption processes
Separation and Purification Technology · 2024
Maryam Chafiq, Siti Fatimah, Abdelkarim Chaouiki, Young Gun Ko
Read original paper ↗ ·Data After Life: A data donor card to provoke questions concerning post-mortem data use
Designing Interactive Systems Conference · 2024
Daniel Snow, Marguerite Barry
Read original paper ↗ ·Reaction rebalancing: a novel approach to curating reaction databases
Journal of Cheminformatics · 2024
Tieu-Long Phan, Klaus Weinbauer, Thomas Gärtner, Daniel Merkle, Jakob L. Andersen, Rolf Fagerberg, Peter Florian Stadler
Read original paper ↗ ·Logic and symbolism of switchable porous framework materials
Communications Materials · 2024
Leila Dauletovna Abylgazina, Irena Senkovska, Stefan Kaskel
Read original paper ↗ ·Recent advances in artificial intelligent strategies for tissue engineering and regenerative medicine
Skin Research and Technology · 2024
Maliheh Gharibshahian, Mohammad Torkashvand, Mahya Bavisi, Niloofar Aldaghi, Akram Alizadeh
Read original paper ↗ ·Catalysing (organo-)catalysis: Trends in the application of machine learning to enantioselective organocatalysis
Beilstein Journal of Organic Chemistry · 2024
Stefan P. Schmid, Leon Schlosser, Frank Glorius, Kjell Jorner
Read original paper ↗ ·Assessment of fine-tuned large language models for real-world chemistry and material science applications
Chemical Science · 2024
Joren Van Herck, M.V. Gil, Kevin Maik Jablonka, Alex Abrudan, Andy S. Anker, Mehrdad Asgari, Ben J. Blaiszik, Antonio Buffo, Leander Choudhury, Clémence Corminbœuf, Hilal Daglar, Amir Mohammad Elahi, Ian T Foster, Susana García, Matthew Garvin, Guillaume Godin, Lydia L. Good, Jianan Gu, Noémie Xiao Hu, Xin Jin, Tanja Junkers, Seda Keskın, Tuomas P. J. Knowles, Rubén Laplaza, Michele Lessona, Sauradeep Majumdar, Hossein Mashhadimoslem, Ruaraidh D. McIntosh, Seyed Mohamad Moosavi, Beatriz Mouriño, Francesca Nerli, C. Pevida, Neda Poudineh, Mahyar Rajabi Kochi, Kadi Liis Saar, Fahimeh Hooriabad Saboor, Morteza Sagharichiha, K. J. Schmidt, Jiale Shi, Elena Simone, Dennis Svatunek, Marco Taddei, Igor V. Tetko, D. Tolnai, Sahar Vahdatifar, Jonathan K. Whitmer, D. C. Florian Wieland, Regine Willumeit‐Römer, Andreas Züttel, Berend Smit
Read original paper ↗ ·Building a roadmap for safer and sustainable material chemistries: Addressing the PFAS problem through informatics and data-driven chemistry
MRS Energy & Sustainability · 2024
Arthur Fong, Alexandra McPherson, Mark S. Rossi, Krishna Rajan
Read original paper ↗ ·Activity recognition in scientific experimentation using multimodal visual encoding
Digital Discovery · 2024
Gianmarco Gabrieli, I. Morales, Dimitrios Christofidellis, Mara Graziani, Andrea A Giovannini, Federico Zipoli, Amol Thakkar, Antonio Foncubierta–Rodríguez, Matteo Manica, Patrick Ruch
Read original paper ↗ ·What I Learned from Analyzing Accurate Mass Data of 3000 Supporting Information Files
Organic Letters · 2024
Mathias Christmann
Read original paper ↗ ·On the Importance of Data – Introducing Perspectives as New Manuscript Type to SYNLETT
Synlett · 2024
Rubén Martı́n, Manuel van Gemmeren, Debabrata Maiti
Read original paper ↗ ·Accelerating compound synthesis in drug discovery: the role of digitalisation and automation
RSC Medicinal Chemistry · 2025
David F. Nippa, Alexander J. Boddy, Kenneth Atz, Uwe Grether, Hayley Binch, Rainer E. Martin
Read original paper ↗ ·twa: The World Avatar Python package for dynamic knowledge graphs and its application in reticular chemistry
Digital Discovery · 2025
Jiaru Bai, Simon D. Rihm, Aleksandar Kondinski, Fabio Saluz, Xinhong Deng, George Brownbridge, Sebastian Mosbach, Jethro Akroyd, Markus Kraft
Read original paper ↗ ·Synthetic Aspects and Characterization Needs in MOF Chemistry – from Discovery to Applications
Advanced Materials · 2025
Bastian Achenbach, Aysu Yurduşen, Norbert Stock, Guillaume Maurin, Christian Serre
Read original paper ↗ ·A Holistic Data-Driven Approach to Synthesis Predictions of Colloidal Nanocrystal Shapes
Journal of the American Chemical Society · 2025
Ludovic Zaza, Bojana Ranković, Philippe Schwaller, Raffaella Buonsanti
Read original paper ↗ ·Foundation models for materials discovery – current state and future directions
npj Computational Materials · 2025
Edward O. Pyzer‐Knapp, Matteo Manica, Peter Staar, Lucas Morin, Patrick Ruch, Teodoro Laino, John R. Smith, Alessandro Curioni
Read original paper ↗ ·Discovering organic reactions with a machine-learning-powered deciphering of tera-scale mass spectrometry data
Nature Communications · 2025
Konstantin S. Kozlov, Daniil A. Boiko, Julia V. Burykina, Valentina V. Ilyushenkova, Alexander Yu. Kostyukovich, Ekaterina D. Patil, Valentine P. Ananikov
Read original paper ↗ ·Carbohydrate Synthesis is Entering the Data‐Driven Digital Era
Chemistry - A European Journal · 2025
Eric T. Sletten, Jakob B. Wolf, José Danglad‐Flores, Peter H. Seeberger
Read original paper ↗ ·Negative chemical data boosts language models in reaction outcome prediction
Science Advances · 2025
Alessandra Toniato, Alain C. Vaucher, Teodoro Laino, Mara Graziani
Read original paper ↗ ·Knowledge graphs in heterogeneous catalysis: Recent advances and future opportunities
Chinese Journal of Chemical Engineering · 2025
Raúl Díaz, Hongliang Xin
Read original paper ↗ ·Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook
Advanced Intelligent Discovery · 2025
Jinglan Zhang, Xinyi Chen, Xu Ye, Yulin Yang, Bin Ai
Read original paper ↗ ·Probing the limitations of multimodal language models for chemistry and materials research
Nature Computational Science · 2025
Nawaf Alampara, Mara Schilling-Wilhelmi, Martiño Ríos-García, Indrajeet Mandal, Pranav Khetarpal, Hargun Singh Grover, N. M. Anoop Krishnan, Kevin Maik Jablonka
Read original paper ↗ ·Automating structure–activity analysis for electrochemical nitrogen reduction catalyst design through multi-agent collaborations
National Science Review · 2025
Xu Hu, Suya Chen, Letian Chen, Huijuan Wang, Xu Zhang, Zhen Ping Zhou
Read original paper ↗ ·Toward Reliable and Reproducible Research in Organic Photocatalysis by Carbon Nitride
ACS Catalysis · 2025
Gaia Grando, Giuseppe Sportelli, Gaia Castellani, Giacomo Filippini, Maurizio Prato, Michele Melchionna, Paolo Fornasiero
Read original paper ↗ ·Advances in low-dimensional graphene and conductive polymers for tissue engineering and regenerative applications
Elsevier eBooks · 2025
Vaishali A. Bambole, Sagar E. Shirsath
Read original paper ↗ ·Organic synthesis in the 21st century
Elsevier eBooks · 2025
Claudio Trombini
Read original paper ↗ ·Artificial intelligence and machine learning for plasmonic and surface-enhanced sensing
Chemical Society Reviews · 2026
Ailsa Geddis, Hannah Williams, Saba Bashir, Jason Malenfant, Caroline Dubois, Louis Hamlet, Jean‐François Masson
Read original paper ↗ ·Clever materials: when models identify good materials for the wrong reasons
Faraday Discussions · 2026
Kevin Maik Jablonka
Read original paper ↗ ·General-Purpose Models for the Chemical Sciences: LLMs and Beyond
Chemical Reviews · 2026
Nawaf Alampara, Anagha Aneesh, Martiño Ríos-García, Adrian Mirza, Mara Schilling-Wilhelmi, Ali Asghar Aghajani, Meiling Sun, Gordan Prastalo, Kevin Maik Jablonka
Read original paper ↗ ·Enabling open and FAIR catalysis data with standardized data structures
Nature Catalysis · 2026
Julia Schumann, Hampus Näsström, M Götte, Lauri Himanen, Abdulrhman Moshantaf, Markus Scheidgen, José A Márquez, Claudia Draxl, Annette Trunschke
Read original paper ↗ ·Harnessing Artificial Intelligence (AI) for a greener future: a review of AI advancements in green chemistry, chemical processes and sustainable materials
Applied Intelligence · 2026
Ahmed M. Elkhatat, Shaheen A. Al‐Muhtaseb
Read original paper ↗ ·A five-level cascade workflow for chemical reaction balancing and completion: Bridging deterministic graph algorithms and large language models
Chinese Journal of Chemical Engineering · 2026
Peixin Liu, Chenxu Yang, Yilong Zhu, Wanqing Zheng, Xuefeng Pu, Qilei Liu, Jian Du, Lei Zhang
Read original paper ↗ ·