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Videos of Chemically Activated Frontal Polymerization of Thermosets

Cramblitt, Anna C.; Lessard, Jacob J.; Arretche, Ignacio
DOI: 10.18126/183e-2r15
Year: 2025

Differential Scanning Calorimetry to Determine Reactivity of Stable Viscosity-modified Thermoset Resins in Frontal Polymerization

Krishnan, Pranav; Lessard, Jacob; Suslick, Benjamin; Cramblitt, Anna; Balta, Javier; Arretche, Ignacio
DOI: 10.18126/4c5v-p868
Year: 2025

RetroTransformDB - a dataset of transforms (retrosynthetic reactions)

Avramova, Svetlana; Kochev, Nikolay; Angelov, Plamen
Organizations: MDF Open
DOI: 10.18126/kqww-lkdy
Year: 2023

Machine Learning Models to Accelerate the Design of Polymeric Long-Acting Injectables

Bannigan, Pauric; Bao, Zeqing; Hickman, Riley John; Aldeghi, Matteo; Häse, Florian; Aspuru-Guzik, Alán; Allen, Christine
Organizations: MDF Open
DOI: 10.18126/4hfb-s3y1
Year: 2023

DECIMER - Hand-drawn molecule images dataset

Brinkhaus, Henning Otto; Zielesny, Achim; Steinbeck, Christoph; Rajan, Kohulan
Organizations: MDF Open
DOI: 10.18126/k0pm-4alm
Year: 2023

QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules

Hoja, Johannes; Medrano Sandonas, Leonardo; Ernst, Brian; Vazquez-Mayagoitia, Alvaro; DiStasio Jr., Robert A.; Tkatchenko, Alexandre
Organizations: MDF Open
DOI: 10.18126/5y39-v72p
Year: 2023

The MPI-Mainz UV/VIS Spectral Atlas of Gaseous Molecules

Keller-Rudek, Hannelore; Moortgat, Geert K.; Sander, Rolf; Sörensen, Rüdiger
Organizations: MDF Open
DOI: 10.18126/x2vw-dqx6
Year: 2023

ChemTastesDB: A Curated Database of Molecular Tastants

Rojas, Cristian; Ballabio, Davide; Pacheco Sarmiento, Karen; Pacheco Jaramillo, Elisa; Mendoza, Mateo; García, Fernando
Organizations: MDF Open
DOI: 10.18126/5pq3-zbho
Year: 2023

IUPAC Dissociation-Constants: v1.0

Zheng, Jonathan
Organizations: MDF Open
DOI: 10.18126/cy58-tndq
Year: 2023