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Chemistry | Physics Accelerating Molecular Vibrational Spectra Simulations with a Physically Informed Deep Learning Model. June 3, 2024
Artificial Intelligence | Chemistry | Physcial Chemistry General Aqueous System Simulation through an AI-Embedded Metaverse Chemistry Laboratory. May 30, 2024
Chemistry | Computational Biology | Drug design AnoChem: Prediction of chemical structural abnormalities based on machine learning models. May 29, 2024
Chemistry | Earth Sciences | Materials Science Non-negative matrix factorization-aided phase unmixing and trace element quantification of STEM-EDXS data. May 28, 2024
Chemistry | Materials Science Deep learning prediction and experimental investigation of specific capacitance of nitrogen-doped porous biochar. May 27, 2024
Chemistry | Pharmaceutical Sciences Utility of the Morgan Fingerprint in Structure-Based Virtual Ligand Screening. May 24, 2024
Chemistry | Electrochemistry High-Throughput Single-Entity Electrochemistry with Microelectrode Arrays. May 23, 2024
Biophysics | Chemistry Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules. May 23, 2024
Chemistry | Data Science | Environmental Science Information extraction of UV-NIR spectral data in waste water based on Large Language Model. May 21, 2024
Chemistry | Materials Science COMPAS-3: a dataset of -condensed polybenzenoid hydrocarbons. May 17, 2024
Analytical Chemistry | Chemistry | Machine Learning Electrochemiluminescence in Graphitic Carbon Nitride Decorated with Silver Nanoparticles for Dopamine Determination Using Machine Learning. May 16, 2024