Discovery of two new Cu-Sn chalco-halides for potential solar absorber applications #machinelearning #compchem pubs.rsc.org/en/Content/Art…
English
Machine Learning in Chemistry
15.5K posts
Machine Learning in Chemistry
@ML_Chem
Feed that aggregates publications about Machine Learning in Chemistry from over 200 journals of 15 editors. Contact @CYL_Lab for any question.
Sherbrooke, Canada Katılım Ağustos 2021
6 Takip Edilen5.5K Takipçiler
Accurate Prediction of Polymerization Performance for Metallocene Catalysts via a Dual-Path Neural Network and Local Feature Learning #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
Bioinspired chitosan magnetic nanocomposites for advanced oil–water separation: bridging experiments with machine learning and molecular dynamics #machinelearning #compchem sciencedirect.com/science/articl…
English
LiBRe: A Ligand-Aware Sequence-Based Binding Residue Prediction Model for Virtual Screening #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
Bayesian Optimization and Kinetic Modeling for Continuous-Flow Synthesis of 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane Directed by Computational Fluid Dynamics #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
Amino acid composition drives aggregation during peptide synthesis #machinelearning #compchem nature.com/articles/s4155…
English
Construction of Potential Energy Surface for Ne Atom and H2+ Ion Collision Reaction Based on Artificial Intelligence #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
Physics-informed Hamiltonian learning for large-scale optoelectronic property prediction #machinelearning #compchem nature.com/articles/s4146…
English
Evaluating MS-ANI vs SS-ANI for Surface Hopping Simulations: A Cyclohexadiene Photochemical Ring-Opening Case Study #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
Identification and verification of the key genes, CCR1 and EGR2, in diabetes-associated lipophagy #machinelearning #compchem nature.com/articles/s4159…
English
Interfacial Chemistry in SERS: Mechanisms, Controls, and Materials #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
Rapid discrimination of geographical origin and analysis of chemical characterization of tobacco leaves from multiple countries #machinelearning #compchem frontiersin.org/articles/10.33…
English
Machine learning-guided screening of phase-stable high-entropy Na cathodes to enable EVs and low-cost charging storage systems #machinelearning #compchem pubs.rsc.org/en/Content/Art…
English
Suppressing Oxygen-Loss-Driven Lattice Expansion Cascades in Disordered Rock-Salt Li-Ion Cathodes via Electrolyte Engineering #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
Machine Learning Potentials for Inorganic and Hybrid Lead Halide Perovskites: From Phase Stability to Defects and Interfaces #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
Comprehensive Structural Descriptors Enable Machine Learning Prediction of Perovskite Band Characteristics #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English
A Combined First-Principles and Machine Learning Study of Phase Stability and Thermoelectric Properties in ZrSiPt #machinelearning #compchem pubs.rsc.org/en/Content/Art…
English
Electrochemical self-optimization for the synthesis of densely functionalized molecules #machinelearning #compchem cell.com/chem/fulltext/…
English
Exploiting single-crystal-to-single-crystal transformations in dynamic MOFs for advanced applications #machinelearning #compchem sciencedirect.com/science/articl…
English
PNcsp+: A Periodic Number-Based Crystal Structure Prediction Method Enhanced by Machine Learning #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
English