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Machine learning in chemistry data-driven algorithms, learning systems, and predictions
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2
Computational photocatalysis modeling of photophysics and photochemistry at interfaces
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3
40 years of chemometrics from Bruce Kowalski to the future
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Photoinduced processes at surfaces and in nanomaterials
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Applications of molecular modeling to challenges in clean energy
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6
Library design, search methods, and applications of fragment-based drug design
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7
Electron correlation methodology
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8
Applied modeling and computations in nuclear science
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9
Chemometrics and chemoinformatics
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10
Transition state modeling for catalysis
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Electronic books
Congresses
Data processing
Chemistry
Computer simulation
Drugs
Mathematical models
Algorithms
Chemistry, Analytic
Chemometrics
Design
Organic compounds
Parallel processing (Electronic computers)
Pharmaceutical chemistry
Photochemistry
Structure-activity relationships
Abstracting and indexing
Agrochemicals
Automation
Catalysis
Chemical laboratories
Cheminformatics
Chemistry -- Data processing
Chemistry, Pharmaceutical
Combinatorial Chemistry Techniques
Combinatorial chemistry
Communication in chemistry
Computer networks
Computer-aided design
Density functionals