Rafael Gómez-Bombarelli
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Year of Publication:2023
Data-Driven, Physics-Informed Descriptors of Cation Ordering in Multicomponent Oxides
arXiv:2305.01806,2023
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Year of Publication:2023
Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back
Science,vol.382(6677),pp.eadi1407,2023
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Year of Publication:2023
Generating, Managing, and Mining Big Data in Zeolite Simulations
AI‐Guided Design and Property Prediction for Zeolites and Nanoporous Materials,pp.81-111,2023
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Year of Publication:2023
Automated patent extraction powers generative modeling in focused chemical spaces
Digital Discovery,2023
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Year of Publication:2023
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Year of Publication:2023
Mapping the space of photoswitchable ligands and photodruggable proteins with computational modeling
J. Chem. Inf. Model.,2023
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Year of Publication:2023
Thermal Half-Lives of Azobenzene Derivatives: Virtual Screening Based on Intersystem Crossing Using a Machine Learning Potential
ACS Central Science,2023
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Year of Publication:2023
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Year of Publication:2023
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Year of Publication:2023