Tag: Quantitative structure?activity relationship

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Recent Related Articles to Quantitative structure?activity relationship

Genetic Algorithms in Molecular Modeling. Principles of QSAR and Drug Design – Artificial ...

Added to Collection on: 2018-01-16 23:45:00

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Nature
Chemistry
Drug discovery
Bioinformatics
Computational science
Genetic algorithm
Medicinal chemistry
Cheminformatics
Drug design
Computational chemistry
Quantitative structure?activity relationship
Molecular modelling

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New AI-Enabled Virtual Screening Tool Identifies Most Promising Approved Drugs for Success in ...

Added to Collection on: 2021-02-18 13:52:30

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Academic disciplines
Cybernetics
Articles
Natural sciences
Hedge funds
WorldQuant
Machine learning
Artificial intelligence
Quantitative structure?activity relationship
CAS Registry Number
WorldQuant Predictive

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Quantitative Structure-Activity Relationship (QSAR) Market Prognosticated for a Stunning Growth ...

Added to Collection on: 2021-03-19 11:04:22

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Business process
Medicinal chemistry
Articles
Natural sciences
Business
Cheminformatics
Computational chemistry
Drug discovery
Quantitative structure?activity relationship
Market research
Structure–activity relationship
Market segmentation

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How feature selection, extraction improve ML predictions

Added to Collection on: 2021-04-22 17:37:30

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Dimension reduction
Machine learning
Artificial intelligence
Learning
Cognition
Principal component analysis
Feature extraction
Feature selection
Overfitting
Feature engineering
Quantitative structure?activity relationship

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Humans and Machines: Exploring the Reaches of Chemical Space - The Medicine Maker

Added to Collection on: 2024-01-08 22:57:58

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Artificial intelligence
Drug discovery
Cheminformatics
Cybernetics
Pharmaceutics
Machine learning
Explainable Artificial Intelligence
High-throughput screening
Artificial general intelligence
Virtual screening
Medicinal chemistry
Quantitative structure?activity relationship

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Machine learning assisted classification RASAR modeling for the nephrotoxicity potential of ...

Added to Collection on: 2025-01-05 00:16:13

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Cheminformatics
Drug discovery
Computational chemistry
Medicinal chemistry
Q-RASAR
Quantitative structure?activity relationship
Molecular descriptor
Virtual screening
Descriptor
Feature
ARKA descriptors in QSAR

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Generative Chemistry: Navigating Vast Chemical Space in Drug Discovery

Added to Collection on: 2025-06-23 00:07:01

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Cheminformatics
Drug discovery
Computational chemistry
Medicinal chemistry
Quantitative structure?activity relationship
Artificial intelligence
Generative
Chemist
AI boom
Generative design
Generative artificial intelligence

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DTIP-WINDGRU a novel drug-target interaction prediction with wind-enhanced gated recurrent unit

Added to Collection on: 2025-07-20 18:46:35

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Drug discovery
Medicinal chemistry
Computational chemistry
Cybernetics
Bioinformatics
Quantitative structure?activity relationship
Docking
Deep learning
Machine learning
Neural network
Artificial intelligence
Drug design

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