Citation Impact
Citing Papers
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules
2020
Graph neural networks: A review of methods and applications
2020 Standout
A review of uncertainty quantification in deep learning: Techniques, applications and challenges
2021 Standout
Artificial intelligence in healthcare: past, present and future
2017 Standout
Low Data Drug Discovery with One-Shot Learning
2017
Deep learning: new computational modelling techniques for genomics
2019
Deep learning in biomedicine
2018
A deep learning algorithm using CT images to screen for Corona virus disease (COVID-19)
2021 Standout
Graph Neural Networks and Their Current Applications in Bioinformatics
2021
Graph convolutional networks: a comprehensive review
2019 Standout
In Silico Target Prediction for Small Molecules
2018
Effective gene expression prediction from sequence by integrating long-range interactions
2021 StandoutNobel
Machine learning for molecular and materials science
2018 StandoutNature
Big data and machine learning algorithms for health-care delivery
2019 Standout
Deep learning algorithms for rotating machinery intelligent diagnosis: An open source benchmark study
2020 Standout
Self-reported psychotropic drug use and associated factors in a French community sample
1992
Multimodal biomedical AI
2022 Standout
An E3 ligase guide to the galaxy of small-molecule-induced protein degradation
2021
A survey on deep learning in medical image analysis
2017 Standout
How machine learning can help select capping layers to suppress perovskite degradation
2020 StandoutNobel
Medication Use and the Risk of Stevens–Johnson Syndrome or Toxic Epidermal Necrolysis
1995 Standout
Artificial intelligence in drug development: present status and future prospects
2018 Standout
The rise of deep learning in drug discovery
2018
PROTAC targeted protein degraders: the past is prologue
2022 Standout
Risk versus risk: a review of benzodiazepine reduction in older adults
2014
Major Depressive Disorder
2008 Standout
Organic reactivity from mechanism to machine learning
2021
Applications of machine learning in drug discovery and development
2019 Standout
Reliability and validity of the cocaine selective severity assessment
1998
Interpreting neural networks for biological sequences by learning stochastic masks
2022 StandoutNobel
Review of deep learning: concepts, CNN architectures, challenges, applications, future directions
2021 Standout
Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials
2019
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
AI and computational chemistry-accelerated development of an alotaketal analogue with conventional PKC selectivity
2022
Predicting molecular properties with covariant compositional networks
2018
Graph Neural Networks: A Review of Methods and Applications
2018
Artificial intelligence in drug discovery and development
2020 Standout
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
2018
Generative Model for the Inverse Design of Metasurfaces
2018 Standout
Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
2018
Deep Learning for Health Informatics
2016 Standout
Improving Compound Activity Classification via Deep Transfer and Representation Learning
2022
Shaping the Water-Harvesting Behavior of Metal–Organic Frameworks Aided by Fine-Tuned GPT Models
2023 StandoutNobel
Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases
2018
Nanophotonic particle simulation and inverse design using artificial neural networks
2018
Learning Drug Functions from Chemical Structures with Convolutional Neural Networks and Random Forests
2019
Deep Learning on Graphs: A Survey
2020 Standout
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments
2022 Standout
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
Artificial Intelligence in Drug Design
2018
CDC Guideline for Prescribing Opioids for Chronic Pain—United States, 2016
2016 Standout
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
2019 Standout
Per- and Polyfluoroalkyl Substance Toxicity and Human Health Review: Current State of Knowledge and Strategies for Informing Future Research
2020 Standout
Recent advances and applications of machine learning in solid-state materials science
2019 Standout
Machine Learning in Computer-Aided Synthesis Planning
2018
PubChem 2023 update
2022 Standout
Digital Reticular Chemistry
2020 StandoutNobel
ChatGPT Research Group for Optimizing the Crystallinity of MOFs and COFs
2023 StandoutNobel
Crystalline Polyphenylene Covalent Organic Frameworks
2023 StandoutNobel
Characteristics of seismic activity of the Upper Silesian Coal Basin in Poland
2006 Standout
Application of deep convolutional neural network for automated detection of myocardial infarction using ECG signals
2017 Standout
Machine learning and the physical sciences
2019
Physics-informed machine learning
2021 Standout
Computer-inspired quantum experiments
2020 StandoutNobel
Inverse Design of Solid-State Materials via a Continuous Representation
2019
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Using Machine Learning to Classify Bioactivity for 3486 Per- and Polyfluoroalkyl Substances (PFASs) from the OECD List
2019
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
2021 Standout
Machine learning models of the energy curvature vs particle number for optimal tuning of long-range corrected functionals
2020
Inner and Outer Recursive Neural Networks for Chemoinformatics Applications
2018
Inverse molecular design using machine learning: Generative models for matter engineering
2018 Science
Non-precious-metal catalysts for alkaline water electrolysis: operando characterizations, theoretical calculations, and recent advances
2020
Deep Learning for Generic Object Detection: A Survey
2019 Standout
ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis
2023 StandoutNobel
Disentangling Rotational Dynamics and Ordering Transitions in a System of Self-Organizing Protein Nanorods via Rotationally Invariant Latent Representations
2021 StandoutNobel
A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification
2019
PotentialNet for Molecular Property Prediction
2018
System of sequences in multivariate reticular structures
2022 StandoutNobel
Mechanical properties and deformation mechanisms of gradient nanostructured metals and alloys
2020 Standout
Generalizing from a Few Examples
2020 Standout
Rise of Deep Learning for Genomic, Proteomic, and Metabolomic Data Integration in Precision Medicine
2018
Works of Patrick Riley being referenced
Fast machine learning models of electronic and energetic properties consistently reach approximation errors better than DFT accuracy
2017
Kohn-Sham Equations as Regularizer: Building Prior Knowledge into Machine-Learned Physics
2021
Molecular graph convolutions: moving beyond fingerprints
2016
The benzodiazepine withdrawal symptom questionnaire
1990
A Bayesian experimental autonomous researcher for mechanical design
2020
Machine Learning on DNA-Encoded Libraries: A New Paradigm for Hit Finding
2020
Three pitfalls to avoid in machine learning
2019 Nature
Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error
2017