Cover Image

Predictive and Generative Deep Learning Approaches for Chemical Reactions

Fuente: Zenodo

Saved in:

Bibliographic Details
Main Author:	Heid, Esther
Format:	Recurso digital
Published:	Zenodo 2026
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Approximation Theory, Computing, and Deep Learning on the Wasserstein Space
by: Fornasier, Massimo, et al.
Published: (2023)

Efficient Machine Learning Approach for Yield Prediction in Chemical Reactions
by: Ghosh, Supratim, et al.
Published: (2025)

Lebenswelt Klassenzimmer. Überlegungen zur ethnografischen Methode im Forschungsfeld Schule
by: Michaela Heid
Published: (2005)

DeepMech: A Machine Learning Framework for Chemical Reaction Mechanism Prediction
by: Das, Manajit, et al.
Published: (2025)

Reliable Part-of-Speech Tagging of Historical Corpora through Set-Valued Prediction
by: Heid, Stefan, et al.
Published: (2020)

Culture Morph
by: Heid, Susan D.
Published: (2007)

Modular Multi-Task Learning for Chemical Reaction Prediction
by: Pang, Jiayun, et al.
Published: (2026)

A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions
by: Liu, Pengfei, et al.
Published: (2024)

The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models
by: Nithin Lalith, et al.
Published: (2024)

Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties
by: Shermukhamedov, Shokirbek, et al.
Published: (2023)

Feynman-Kac-Flow: Inference Steering of Conditional Flow Matching to an Energy-Tilted Posterior
by: Mark, Konstantin, et al.
Published: (2025)

ReactAIvate: A Deep Learning Approach to Predicting Reaction Mechanisms and Unmasking Reactivity Hotspots
by: Hoque, Ajnabiul, et al.
Published: (2024)

Interpretable Deep Learning for Polar Mechanistic Reaction Prediction
by: Miller, Ryan J., et al.
Published: (2025)

Iterative energy reduction Galerkin methods and variational adaptivity
by: Heid, Pascal, et al.
Published: (2025)

Probabilistic Scoring Lists for Interpretable Machine Learning
by: Hanselle, Jonas, et al.
Published: (2024)

Predicting Chemical Reaction Outcomes Based on Electron Movements Using Machine Learning
by: Chen, Shuan, et al.
Published: (2025)

Advancements in Machine Learning Predicting Activation and Gibbs Free Energies in Chemical Reactions
by: Guo‐Jin Cao
Published: (2025)

Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning
by: Lin, Xuan, et al.
Published: (2025)

Predictive Chemical Kinetic Modeling of Pt-Catalyzed Dry Methane Reforming
by: Ritov, Esther, et al.
Published: (2025)

Multi‐modal Homogeneous Chemical Reaction Performance Prediction with Graph and Chemical Language Information
by: Shen Wang, et al.
Published: (2025)

Predicting DNA Reactions with a Quantum Chemistry‐Based Deep Learning Model
by: Likun Wang, et al.
Published: (2024)

Combining Deep Learning and Explainable AI for Toxicity Prediction of Chemical Compounds
by: Popescu, Eduard, et al.
Published: (2025)

Transfer Learning across Different Chemical Domains: Virtual Screening of Organic Materials with Deep Learning Models Pretrained on Small Molecule and Chemical Reaction Data
by: Zhang, Chengwei, et al.
Published: (2023)

The economic consequences of geopolitical fragmentation: Evidence from the Cold War
by: Campos, Rodolfo G., et al.
Published: (2024)

DeepFracture: A Generative Approach for Predicting Brittle Fractures with Neural Discrete Representation Learning
by: Huang, Yuhang, et al.
Published: (2023)

DeepFracture: A Generative Approach for Predicting Brittle Fractures with Neural Discrete Representation Learning
by: Yuhang Huang, et al.
Published: (2025)

RxnNano:Training Compact LLMs for Chemical Reaction and Retrosynthesis Prediction via Hierarchical Curriculum Learning
by: Li, Ran, et al.
Published: (2026)

Breast Cancer Prediction: A Fusion of Genetic Algorithm, Chemical Reaction Optimization, and Machine Learning Techniques
by: Md. Rafiqul Islam, et al.
Published: (2024)

Chemical Reaction Optimization (CRO) for RNA Secondary Structure Prediction with Pseudoknots
by: Islam, Md. Shahidul, et al.
Published: (2019)

A Deep Generative Approach to Stratified Learning
by: Martinez, Randy, et al.
Published: (2026)

A Deep Learning Approach for OER Electrocatalyst Kinetics Prediction
by: Umme Javaria, et al.
Published: (2026)

Deep Learning Approaches for Natural Disaster Prediction and Response Planning
by: Researchscholar
Published: (2025)

Admission Prediction in Undergraduate Applications: an Interpretable Deep Learning Approach
by: Priyadarshini, Amisha, et al.
Published: (2024)

Supervised and Unsupervised Deep Learning Approaches for EEG Seizure Prediction
by: Georgis-Yap, Zakary, et al.
Published: (2023)

Chemically-Informed Machine Learning Approach for Prediction of Reactivity Ratios in Radical Copolymerization
by: Safari, Habibollah, et al.
Published: (2025)

Learning Chemical Reaction Representation with Reactant-Product Alignment
by: Zeng, Kaipeng, et al.
Published: (2024)

Research on Adverse Drug Reaction Prediction Model Combining Knowledge Graph Embedding and Deep Learning
by: Li, Yufeng, et al.
Published: (2024)

Characterizing social conflict over wolf reintroduction in Colorado: A theoretical model of intergroup conflict
by: Mireille N. Gonzalez, et al.
Published: (2024)

Quantum Jump Approach for Photosynthetic Energy Transfer with Chemical Reaction and Fluorescence Loss
by: Li, Rui, et al.
Published: (2025)

Incorporating Legal Logic into Deep Learning: An Intelligent Approach to Probation Prediction
by: Wang, Qinghua, et al.
Published: (2025)