Engineering
Accurate Prediction
100%
Applicability
100%
Distribution Coefficient
100%
Endpoint
100%
Neural Network Architecture
100%
Polar Group
100%
Random Forest
100%
Substituent
100%
Transfer Learning
100%
Keyphrases
Absorption Distribution Metabolism Excretion
14%
Applicability Domain
14%
Attention Mechanism
14%
Attentive FP
42%
Buffer Solution
14%
Dataset Splitting
14%
Distribution Coefficient
14%
Drug Discovery
14%
Druggability
14%
Extreme Gradient Boosting(XGBoost)
14%
Gradient Boosting
14%
Graph Convolutional Network
14%
Graph Network
14%
Graph Neural Network
100%
Halogen Group
14%
Heteroatom Groups
14%
Hydrocarbon Groups
14%
Knowledge Transfer
100%
Lipophilicity
14%
LogD7.4
28%
Matched Molecular Pair Analysis
14%
Molecular Graph
14%
Neural Network Architecture
14%
Octanol
14%
Polar Groups
14%
Prediction Accuracy
14%
Predictive Potential
14%
Random Forest
14%
Shapley Additive Explanations
14%
Splitting Strategy
14%
Structure-property Relationships
28%
Substructure
14%
Support Vector Machine
14%
Training Sample Size
14%
Transfer Learning Model
14%
Web Server
14%
Chemistry
Buffer Solution
100%
Drug Discovery
100%
Halogen
100%
Heteroatom
100%
Lipophilicity
100%
Octanol
100%
Partition Coefficient
100%
Computer Science
Attention (Machine Learning)
14%
Extreme Gradient Boosting
28%
Gradient Boosting
14%
Graph Convolutional Network
14%
Graph Neural Network
100%
Neural Network Architecture
14%
Random Decision Forest
14%
Shapley Additive Explanation
14%
Training Data
14%
Transfer Learning
14%