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Deep Learning Combined with IAST to Screen Thermodynamically Feasible MOFs for Adsorption-Based Separation of Multiple Binary Mixtures
Free accessChemRxiv | 2021|Keywords: clustering -
Clustering of Synthetic Routes Using Tree Edit Distance
Free accessChemRxiv | 2020|Keywords: clustering -
Identifying conformational isomers of organic molecules in solution via unsupervised clustering
Free accessChemRxiv | 2020|Keywords: Clustering -
Hilbert-Curve Assisted Structure Embedding Method
Free accessChemRxiv | 2020|Keywords: clustering -
A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields
Free accessChemRxiv | 2021|Keywords: Unsupervised Clustering -
Fast Prediction of Distances Between Synthetic Routes with Deep Learning
Free accessChemRxiv | 2021|Keywords: clustering -
DNA Inspirited Rational Construction of Nonconventional Luminophores with Efficient and Color-Tunable Afterglow
Free accessChemRxiv | 2020|Keywords: Clustering-triggered emission -
Clustering and Halogen Effects Enabled Red/Near-Infrared Room Temperature Phosphorescence from Aliphatic Cyclic Imides
Free accessChemRxiv | 2021|Keywords: clustering-triggered emission -
Mass Spectral Similarity Mapping Applied to Fentanyl Analogs
Free accessChemRxiv | 2020|Keywords: k-means Clustering -
Clustering-Triggered Efficient Room Temperature Phosphorescence from Nonconventional Luminophores
Free accessChemRxiv | 2019|Keywords: clustering-triggered emission -
Accessing Tunable Afterglows from Highly Twisted Organic AIEgens via Effective Through-Space Conjugation
Free accessChemRxiv | 2020|Keywords: Clustering-triggered emission -
Can Halogen Clusters be Emissive?
Free accessChemRxiv | 2020|Keywords: clustering-triggered emission -
Identifying and Tracking Defects in Dynamic Supramolecular Polymers
Free accessChemRxiv | 2019|Keywords: unsupervised clustering -
Towards a cheminformatic design for quantum mechanical enzyme models: the case of catechol-O-methyltransferase
Free accessChemRxiv | 2020|Keywords: clustering -
Controlling Exchange Pathways in Dynamic Supramolecular Polymers by Controlling Defects
Free accessChemRxiv | 2021|Keywords: Unsupervised Clustering -
Mapping the Space of Chemical Reactions using Attention-Based Neural Networks
Free accessChemRxiv | 2019|Keywords: Clustering analysis
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