Tag: Cheminformatics

Tag Visualization: Top 50 related tags by occurrence

Recent Related Articles to Cheminformatics

DATACORTECH: artificial intelligence platform for the virtual screen of aluminum corrosion inhibitors

Added to Collection on: 2024-07-11 21:57:24

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Corrosion
Machine learning
Metallurgy
Cheminformatics
Cross-validation
Training, validation, and test data sets
Molecular descriptor
Visual descriptor
Rust
Bootstrap aggregating
Overfitting
Corrosion engineering

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Integrating Stereoelectronic Effects into Molecular Graphs: A Novel Approach for Enhanced ...

Added to Collection on: 2024-08-11 23:17:58

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Chemical bonding
Quantum chemistry
Stereochemistry
Computational chemistry
Bioinformatics
Stereoelectronic effect
Chemical bond
Interactome
Cheminformatics
Machine learning
Delocalized electron
Orbital hybridisation

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Better Molecules, Faster: NVIDIA NIM Agent Blueprint Redefines Hit Identification With ...

Added to Collection on: 2024-08-27 19:34:35

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Cheminformatics
Drug discovery
Nvidia
Bioinformatics
Artificial intelligence
Dotmatics
Nim
Generative artificial intelligence
Microservices
OpenEye Scientific Software
Virtual screening

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PlaqueTec and RxCelerate collaborate on early phase drug discovery for coronary artery disease

Added to Collection on: 2024-09-18 17:18:01

Tags for this article:

Assay
Biochemistry
Titration
Drug discovery
Cheminformatics
RxCelerate
PlaqueTec

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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

Tags for this article:

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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From Classical Regression to AI and Beyond: The Chronicles of Calibration in Spectroscopy: Part I

Added to Collection on: 2025-02-14 19:49:25

Tags for this article:

Analytical chemistry
Cheminformatics
Chemometrics
Computational chemistry
Metrics
Analytical chemists
Near-infrared spectroscopy
Svante Wold
Herman Wold
Partial least squares regression
Tormod Næs

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Proteomic associations with cognitive variability as measured by the Wisconsin Card Sorting ...

Added to Collection on: 2025-02-20 19:43:05

Tags for this article:

Statistical classification
Biostatistics
Bioinformatics
Cheminformatics
Sensitivity and specificity
Classification
Proteomics

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Generative Chemistry: Navigating Vast Chemical Space in Drug Discovery

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

Tags for this article:

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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How artificial intelligence is being used to discover new drugs - KESQ

Added to Collection on: 2025-07-24 22:57:12

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Cheminformatics
Dotmatics
Cybernetics
Computational neuroscience
Artificial intelligence
Christian Olsen

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From Classical Regression to AI and Beyond: The Chronicles of Calibration in Spectroscopy: Part II

Added to Collection on: 2025-09-22 17:49:27

Tags for this article:

Cheminformatics
Computational chemistry
Cybernetics
Computational neuroscience
Chemometrics
Metrics
Partial least squares regression
Machine learning
Deep learning
Explainable Artificial Intelligence
Neural network
Artificial intelligence

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