Keyphrases
Molecular Optimization
100%
Metabolism
100%
Absorption Distribution
100%
Deep Learning
100%
Molecular Representation
100%
Multi-objective Particle Swarm Optimization (MOPSO)
100%
Molecular Translation
100%
Optimization Platform
100%
Drug Development
33%
Decoder
33%
Encoder
33%
Simplified Molecular-Input Line-Entry System
33%
Molecular Structure
16%
Multiple Parameters
16%
Bioactivity
16%
Drug Discovery
16%
Freely Available
16%
Metabolic Profiling
16%
Toxicity Profile
16%
Development Failure
16%
Absorption Feature
16%
Optimization Strategy
16%
Particle Swarm Optimization
16%
Double Effect Absorption
16%
PARP Inhibitor (PARPi)
16%
Chemical Space
16%
Distribution Profile
16%
Expert Knowledge
16%
Constrained multi-objective Optimization
16%
Toxicity Endpoints
16%
Human Expert
16%
Multiple Toxicities
16%
Multiple Distributions
16%
Inverse QSAR
16%
Chemistry
Molecular Structure
100%
Drug Discovery
100%
Bioactivity
100%
Poly(ADPribose)
100%
Biochemistry, Genetics and Molecular Biology
Metabolic Pathway
100%
Absorption
100%
Chemical Structure
16%
Biological Activity
16%
Poly ADP Ribose Polymerase
16%
Quantitative Structure-Activity Relationship
16%
Pharmacology, Toxicology and Pharmaceutical Science
Elimination
100%
Drug Development
33%
Drug Discovery
16%
Nicotinamide Adenine Dinucleotide Adenosine Diphosphate Ribosyltransferase 1
16%
Quantitative Structure-Activity Relationship
16%
Chemical Engineering
Deep Learning Method
100%