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MoLMamba: A Large State-Space-based Foundation Model for ChemistryEduardo Almeida SoaresVictor Shirasunaet al.2024ACS Fall 2024
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Selecting Covalent Organic Frameworks for Gas Capture using micro-Raman SpectroscopyGeisa LimaMatheus Esteves Ferreiraet al.2024ACS Fall 2024
AI-Assisted Raman Spectral Peak Label AssignmentAdemir Ferreira Da SilvaMatheus Esteves Ferreiraet al.2024ACS Fall 2024
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In-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approachMatheus Esteves FerreiraGeisa Limaet al.2024ACS Fall 2024
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routesOliver SchilterDaniel Pacheco Gutierrezet al.2024ACS Fall 2024
MorganGen: Generative Modeling of SMILES Using Morgan Fingerprint FeaturesLam Thanh HoangRaúl Fernández Díazet al.2024ACS Fall 2024