Instruct: Given the title of a scientific paper, retrieve paper titles that are cited by the given paper
Query: Molecular Transformer for Chemical Reaction Prediction and Uncertainty Estimation
“ found in translation ” : predicting outcomes of complex organic chemistry reactions using neural sequence - to - sequence models † † electronic supplementary information ( esi ) available : time - split test set and example predictions , together with attention weights , confidence and token probabilities . see do .
Syntax-Directed Variational Autoencoder for Molecule Generation
Chemlistem: chemical named entity recognition using recurrent neural networks
Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction.
Chemi-net: a graph convolutional network for accurate drug property prediction
Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials
Adversarial Threshold Neural Computer for Molecular de Novo Design
Planning chemical syntheses with deep neural networks and symbolic AI
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Machine-learning models for combinatorial catalyst discovery
ChemTS: An Efficient Python Library for de novo Molecular Generation
Molecular activity prediction using deep learning software library
Deep Learning for Computational Chemistry
Chemical structure recognition: a rule-based approach
Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
Molecular Hypergraph Grammar with its Application to Molecular Optimization
Towards"AlphaChem": Chemical Synthesis Planning with Tree Search and Deep Neural Network Policies
Designing Random Graph Models Using Variational Autoencoders With Applications to Chemical Design
Simple and Scalable Predictive Uncertainty Estimation using Deep Ensembles
A 31 ns Random Cycle VCAT-Based 4F $^{2}$ DRAM With Manufacturability and Enhanced Cell Efficiency
Medical Image Segmentation Using New Hybrid Level-Set Method
Thalassemia intermedia: Revisited
Blue Phosphorene/MoS2 Heterostructure Based SPR Sensor With Enhanced Sensitivity
Grammar as a Foreign Language