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Data mining for patterns in molecule data
Molecule mining is the process of data mining, or extracting and discovering patterns, as applied to molecules. Since molecules may be represented by
Molecule_mining
Finding and extracting information from semi-structured data sets
sets. Graph mining, sequential pattern mining and molecule mining are special cases of structured data mining[citation needed]. The growth of the use
Structure_mining
Extraction of valuable minerals or other geological materials from the Earth
Mining is the extraction of geological materials and minerals from the surface of the Earth. Mining is required to obtain most materials that cannot be
Mining
Predictive chemical model
inspection (qualitative selection by a human); by data mining; or by molecule mining. A typical data mining based prediction uses e.g. support vector machines
Quantitative structure–activity relationship
Quantitative_structure–activity_relationship
Database of chemical compounds
contain over 37 billion commercially available molecules. The database is typically used for molecule mining, a process in which Quantitative structure–activity
ZINC_database
Abstract description of molecular features
the term "pharmacophore" or make use of the concept. Cheminformatics Molecule mining Pharmaceutical company QSAR in silico Wermuth CG, Ganellin CR, Lindberg
Pharmacophore
still feasible. Tree kernel, as special case of non-cyclic graphs Molecule mining, as special case of small multi-label graphs S.V. N. Vishwanathan;
Graph_kernel
Branch of mathematical chemistry
particularly crystals by periodic graphs. Chemical graph generator Molecule mining MATH/CHEM/COMP Topological index Danail Bonchev, D.H. Rouvray (eds
Chemical_graph_theory
Computational chemistry
data Structured data mining and mining of structured data Database mining Graph mining Molecule mining Sequence mining Tree mining The in silico representation
Cheminformatics
Ratio of concentrations in a mixture at equilibrium
compounds that have similar chemical structures and known log P values. Molecule mining approaches apply a similarity-matrix-based prediction or an automatic
Partition_coefficient
Carbon-containing chemical compound
typically considered organic. For historical and disciplinary reasons, small molecules containing carbon are generally not accepted: cyanide ion (CN−), hydrogen
Organic_compound
Concept in cheminformatics
chemical space. Cheminformatics Drug design Sequence space (evolution) Molecule mining Reymond, J.-L.; Awale, M. (2012). "Exploring chemical space for drug
Chemical_space
Method of finding chemicals in a database
a type of line notation, to uniquely define a chemical substance. Molecule mining Currano, Judith N. (2014). "Chapter 5. Searching by Structure and Substructure"
Substructure_search
SMILES extension Clique detection QSAR Data mining Molecule mining, special case of Structured Data Mining Feature–descriptor calculation Partition coefficient
JOELib
auditing, debugging, version control and collaborative team development. Molecule mining Maximum common edge subgraph Michael R. Garey and David S. Johnson
Maximum common induced subgraph
Maximum_common_induced_subgraph
Mineral extraction from the ocean floor
electrolysis, which splits water molecules into hydrogen and oxygen. One report states that biomass loss stemming from deep sea mining is estimated to be significantly
Deep_sea_mining
Process of extraction of uranium ore from the ground
Uranium mining is the process of extraction of uranium ore from the earth. Almost 50,000 tons of uranium were produced in 2022. Kazakhstan, Canada, and
Uranium_mining
Creation of knowledge from structured and unstructured sources
Configuration files Build scripts Text Concept mining Graphs Molecule mining Sequences Data stream mining Learning from time-varying data streams under
Knowledge_extraction
Environmental problems from uncontrolled mining
Environmental impact of mining can occur at local, regional, and global scales through direct and indirect mining practices. Mining can cause erosion, sinkholes
Environmental impact of mining
Environmental_impact_of_mining
Anion, salt, functional group or ester derived from a phosphoric acid
phosphate anions in solution (inorganic phosphate) or bound to organic molecules as various organophosphates. Inorganic phosphate is generally denoted
Phosphate
Group of chemical compounds
PMC 9897216. PMID 36669196. Ronja Münch (February 6, 2023). "Keanu Reeves, the molecule: New active ingredient from bacteria could protect plants". phys.org. Taylor
Keanumycin
In situ resources on the Moon
and collection of water ice that could be mined in the future. Water molecules (H 2O) can be broken down to form molecular hydrogen (H 2) and molecular
Lunar_resources
Biological database
(1): 3–18. doi:10.1074/mcp.R800014-MCP200. PMID 18799807. STRING site STITCH website, related database on interactions of proteins with small molecules
STRING
Real-world applications of data mining
that utilizes the process of data mining is Metabolomics, which is the investigation and study of biological molecules and how their interaction with bodily
Examples_of_data_mining
Chemical element with atomic number 1 (H)
normal matter. Under standard conditions, hydrogen is a gas of diatomic molecules with the formula H2, called dihydrogen, or sometimes hydrogen gas, molecular
Hydrogen
Scientific study of matter's behavior and properties
dissociation of molecules, that is, molecules breaking apart to form two or more molecules or rearrangement of atoms within or across molecules. Chemical reactions
Chemistry
"Dodecahedrane". pubchem.ncbi.nlm.nih.gov. Retrieved 2018-07-28. "'Olympic rings' molecule olympicene in striking image". BBC Online. 27 May 2012. Retrieved 28 May
List of chemical compounds with unusual names
List_of_chemical_compounds_with_unusual_names
Combustible sedimentary rock composed primarily of carbon
In these formulas, R represents the remainder of a cellulose or lignin molecule to which the reacting groups are attached. Dehydration and decarboxylation
Coal
Any molecule with a cyano group (C≡N)
cyanogenic compounds. In plants, cyanides are usually bound to sugar molecules in the form of cyanogenic glycosides and defend the plant against herbivores
Cyanide
of Modisimus (Araneae: Pholcidae) on Hispaniola, using morphology and molecules". Zool. J. Linn. Soc. 158 (2): 244–299. doi:10.1111/j.1096-3642.2009.00559
List of organisms named after famous people (born 1925–1949)
List_of_organisms_named_after_famous_people_(born_1925–1949)
Chemical compound of hydrogen and oxygen
living organisms, in which it acts as a solvent. Water, being a polar molecule, undergoes strong intermolecular hydrogen bonding which is a large contributor
Water
Index of chemical compounds with the same name
QXnF6m+. Many molecules fit this formula. An important hexafluoride is hexafluorosilicic acid (H2SiF6), which is a byproduct of the mining of phosphate
Hexafluoride
Topics referred to by the same term
American hip hop music pioneer 5-Dehydro-m-xylylene, the first organic molecule known to violate Hund's rule Depressive mixed state, a psychological disorder
DMX_(disambiguation)
Chemical element with atomic number 74 (W)
"A theoretical study of the binding and electronic spectrum of the Mo2 molecule". Chemical Physics. 343 (2–3): 210–216. Bibcode:2008CP....343..210B. doi:10
Tungsten
Any of the fifteen lanthanides plus scandium and yttrium
commonly uranium. The co-occurrence of rare earth elements with radioactive mining deposits has spurred some nations to have greater consciousness about pollution
Rare-earth_element
Triatomic oxygen molecule
Ozone (/ˈoʊzoʊn/ ), also called trioxygen, is an inorganic molecule with the chemical formula O 3. It is a pale-blue gas with a distinctively pungent odour
Ozone
Family of large biological molecules
Ribonucleic acid (RNA) is a polymeric molecule that is essential for most biological functions, either by performing the function itself (non-coding RNA)
RNA
a blast. "Man and the Moon" March 8, 1962 (1962-03-08) 9 "Hibernating Molecules"; alternate title: "A Prize for the Lowest" March 15, 1962 (1962-03-15)
List of The Nature of Things episodes
List_of_The_Nature_of_Things_episodes
Fissure in a planet's surface from which heated water emits
conditions of these vents have been shown to support the synthesis of molecules important to life. Some evidence suggests that certain vents such as alkaline
Hydrothermal_vent
Process of determining the nucleic acid sequence
physical order of these bases in a molecule of DNA. However, there are many other bases that may be present in a molecule. In some viruses (specifically,
DNA_sequencing
Chemical element with atomic number 33 (As)
lighter pnictogen congener phosphorus and therefore readily forms covalent molecules with most of the nonmetals. Though stable in dry air, arsenic forms a
Arsenic
Chemical element with atomic number 16 (S)
nonmetallic. Under normal conditions, sulfur atoms form cyclic octatomic molecules with the chemical formula S8. Elemental sulfur is a bright yellow, crystalline
Sulfur
naturally high in sulfur. The sulfur is largely incorporated into the organic molecules in the petroleum. Some sulfur has always been recovered from sour oil
Sulfur production in the United States
Sulfur_production_in_the_United_States
Fine-grained, clastic sedimentary rock
Glossary of Mining and Metallurigical Terms, American Institute of Mining Engineers. p. 78. Albert H. Fay (1920) "Slate" in A Glossary of the Mining and Mineral
Shale
Hydrated amorphous form of silica
present in the familiar form of clusters of molecular water. Isolated water molecules, and silanols, structures such as SiOH, generally form a lesser proportion
Opal
Semiconductor light source
part of the molecule, and the material therefore functions as an organic semiconductor. The organic materials can be small organic molecules in a crystalline
Light-emitting_diode
Equipment allowing or assisting the user to breathe in a hostile environment
selectivity. Permeability is affected by the penetrant size. Larger gas molecules have a lower diffusion coefficient. The membrane gas separation equipment
Breathing_apparatus
Industrial water treatment chemical
crystallization, dispersion and crystal distortion. Antiscalants contain molecules that can complex with metal ions present in the water, preventing them
Antiscalant
Q} and ¬ Q {\displaystyle \neg Q} , then ¬ P {\displaystyle \neg P} . molecule In logic and philosophy, often used metaphorically to refer to a compound
Glossary_of_logic
Poisonous oxygen-carbon compound
carbon monoxide molecule, a net negative charge δ− remains at the carbon end and the molecule has a small dipole moment of 0.122 D. The molecule is therefore
Carbon_monoxide
Chemical compound
names of methanenitrile and formonitrile. Hydrogen cyanide is a linear molecule, with a triple bond between carbon and nitrogen. The C-N bond length is
Hydrogen_cyanide
Mineral concretion found on the sea bottom
and other rare metals in nodules has increased interest in their use as a mining resource. Nodules vary in size from tiny particles visible only under a
Manganese_nodule
Crystalline form of carbon
intercalation compounds with some metals and small molecules. In these compounds, the host molecule or atom gets "sandwiched" between the graphite layers
Graphite
in Sacaton, Arizona; Raymond Dwek researched glycobiology, how sugar molecules attached to the surface of cells; Tom Rademacher found that arthritis
List_of_Equinox_episodes
laboratory spectrometers. 23 January – The largest interstellar organosulfur molecule (2,5-cyclohexadiene-1-thione) so far is identified in a molecular cloud
2026_in_science
Soft, brown, combustible, sedimentary rock
of traditional brown-coal plants, particularly in combination with strip mining, is politically contentious due to environmental concerns. The German Democratic
Lignite
Viral pulmonary disease of humans
been researched as potential anti-hantavirus treatments, including small-molecule compounds that target the virus or host, peptides, alligator weed, antibodies
Hantavirus_pulmonary_syndrome
Intelligence of machines
scene interpretation, clinical decision support, knowledge discovery (mining "interesting" and actionable inferences from large databases), and other
Artificial_intelligence
Innermost Galilean moon of Jupiter
energy levels are partly responsible for the removal of neutral atoms and molecules from Io's atmosphere and more extended neutral clouds. The torus is composed
Io_(moon)
Psychedelic medicine biotech company
opioid withdrawal and opioid use disorder with 18-MC, a non-hallucinogenic molecule based on the psychoactive alkaloid ibogaine. In June 2019, it acquired
Definium_Therapeutics
Ore rich in iron or the element Fe
to make steel. In 2011 the Financial Times quoted Christopher LaFemina, mining analyst at Barclays Capital, saying that iron ore is "more integral to the
Iron_ore
Soft carbonate rock
fossils such as Echinoidea which may be silicified (i.e. replaced molecule by molecule by flint). Chalk is so common in Cretaceous marine beds that the
Chalk
Larva of an insect that lives in and eats the leaf tissue of plants
a single taxonomic group, but rather a feeding behavior known as "leaf mining" that has evolved independently across several insect orders. Leaf miners
Leaf_miner
Databank is a bioinformatics databank containing information on small molecule structures and interactions. The databank integrates a number of existing
Biomolecular Object Network Databank
Biomolecular_Object_Network_Databank
Toxic chemical compound (NaCN)
leads to the high toxicity of this salt. Its main application, in gold mining, also exploits its high reactivity toward metals. It is a moderately strong
Sodium_cyanide
– plugin-extensible molecule visualisation BALLView – molecular modeling and visualisation Jmol – 3D representation of molecules in many formats, for
List of free and open-source software packages
List_of_free_and_open-source_software_packages
Broad-spectrum poisoning
4-dithiane-2,5-dicarboxylic acid disodium salt), which hydrolyzes into 2 molecules of 3-MP after being administered orally or parenterally, is being evaluated
Cyanide_poisoning
Chemical element with atomic number 82 (Pb)
levels in a 46-year-old man. Lead may be used in plastic toys to stabilize molecules from heat. Lead dust can be formed when plastic is exposed to sunlight
Lead
Planetary system consisting of the Sun and objects orbiting it
from the accretion process exceeded the boiling point of hydrocarbon molecules for the first million years, leading to low carbon content for the inner
Solar_System
the read length of the sequencing machine is longer than the sequenced molecule, like the microRNA case. Deconseq Detect and remove contaminations from
List of RNA-Seq bioinformatics tools
List_of_RNA-Seq_bioinformatics_tools
Research process
sequence comparison. Genome mining applies on the discovery of natural product by facilitating the characterization of novel molecules and biosynthetic pathways
Genome_mining
Genus of viruses
Xiang R, Jiang S, Ying T, Yu F (July–August 2020). "Development of Small-Molecule Inhibitors Against Hantaviruses". Microbes Infect. 22 (6–7): 272–277. doi:10
Hantavirus
structural biologist known for his works on the structures of biological molecules, particularly of the tobacco mosaic virus; fellow of the American Academy
List of Cornell University alumni (natural sciences)
List_of_Cornell_University_alumni_(natural_sciences)
Genetic technique for identifying organisms in mixed samples
metabarcoding studies have explored the use of co-extracted eDNA and eRNA molecules for monitoring benthic sediment samples around marine fish farms and oil
Metabarcoding
Substance that can explode
all of its metal to metal oxide with no excess, the molecule has a zero oxygen balance. The molecule has a positive oxygen balance if it contains more oxygen
Explosive
Third planet from the Sun
11,700 years ago. Chemical reactions led to the first self-replicating molecules about four billion years ago. A half billion years later, the last common
Earth
miles. Uses friction rifle that increases kinetic energy of its target's molecules for five minutes. Even the slightest movements result in tremendous friction
List of The Transformers characters
List_of_The_Transformers_characters
Large, round non-stellar astronomical object
System objects by size by discovery date Interstellar and circumstellar molecules Rings Planetary Terran Jovian Saturnian (Rhean?) Uranian Neptunian Minor
Planet
American scientist and activist (1901–1994)
of the elements. Pauling also worked on the structures of biological molecules, and showed the importance of the alpha helix and beta sheet in protein
Linus_Pauling
2013–2016 major disease outbreak
Towner, Jonathan S. (eds.). Marburg- and Ebolaviruses: From Ecosystems to Molecules. Current Topics in Microbiology and Immunology. Vol. 411. Springer. p
Western African Ebola epidemic
Western_African_Ebola_epidemic
which one or more electrons are removed from an atom or molecule, leaving the atom or molecule as a positively charged ion (cation). Each type of radiation
History of radiation protection
History_of_radiation_protection
Protein found in humans
Resistance-Related Protein 8), is a membrane transporter that exports certain molecules from inside a cell. It is a protein that in humans is encoded by gene
ABCC11
37O. doi:10.1017/pasa.2022.36. S2CID 249538461. "Appetite-suppressing molecule helps obese mice lose weight". New Scientist. Retrieved 18 July 2022. Li
2022_in_science
U.S. state
safety in the liquefied petroleum gas industry, and surface coal and uranium mining. Until the 1970s, the commission controlled the price of petroleum because
Texas
Research institute in Martinsried, Germany
Fluorescence Correlation Spectroscopy, Atomic Force Microscopy, Single Molecule, Synthetic Biology (Petra Schwille) Cellular Biochemistry: Molecular Chaperones
Max Planck Institute of Biochemistry
Max_Planck_Institute_of_Biochemistry
Dopaminergic medication
"Dopamine and Levodopa Prodrugs for the Treatment of Parkinson's Disease". Molecules. 23 (1): 40. doi:10.3390/molecules23010040. PMC 5943940. PMID 29295587
Levodopa
Hydrocarbon compound (CH4) in natural gas
which has implications for astrobiology research. Methane is a tetrahedral molecule with four equivalent C–H bonds. Its electronic structure is described by
Methane
Scientific study of chemical processes involving metabolites
scientific study of chemical processes involving metabolites, the small molecule substrates, intermediates, and products of cell metabolism. Specifically
Metabolomics
Industrial process for ammonia production
deuterium and hydrogen on the ammonia molecule also takes place at room temperature. Since the adsorption of both molecules is rapid, it cannot determine the
Haber_process
Economy in space (Mining in space) Garbage in space Humans in space Hygiene in space Industry in space Interstellar and circumstellar molecules Locomotion in
List_of_topics_in_space
Group of clinically similar illnesses caused by species of hantaviruses
been researched as potential anti-hantavirus treatments, including small-molecule compounds that target the virus or host, peptides, alligator weed, antibodies
Hantavirus hemorrhagic fever with renal syndrome
Hantavirus_hemorrhagic_fever_with_renal_syndrome
Chemical element with atomic number 28 (Ni)
[Ni(H2O)6]2+. The four halides form nickel compounds, which are solids with molecules with octahedral Ni centres. Nickel(II) chloride is most common, and its
Nickel
Biological target that binds to a drug
is most commonly applied to the ability of drug targets to bind small molecules—low molecular weight organic compounds. However, the term has also been
Druggability
Whatever remains following a given physical or chemical process
environment. Residue is an atom or a group of atoms that form part of a molecule (such as a methyl group). In biochemistry and molecular biology, the term
Residue_(chemistry)
1977) Len Wein Ross Andru A former Roxxon employee who can manipulate his molecules Big Wheel Jackson Wheele #182 (July 1978) Marv Wolfman Ross Andru Mike
List_of_Spider-Man_enemies
Harmful high-frequency radiation
have enough energy per individual photon or particle to ionize atoms or molecules by detaching electrons from them. Some particles can travel up to 99%
Ionizing_radiation
Clade of primates endemic to the island of Madagascar
usually large, non-volatile molecules, the rhinarium is used to touch a scent-marked object and transfer the pheromone molecules down the philtrum (the nasal
Lemur
27 Janeway undertakes the Omega Directive, an order to destroy Omega molecules, even if it means violating the Prime Directive. 90 22 "Unforgettable"
List of Star Trek: Voyager episodes
List_of_Star_Trek:_Voyager_episodes
Estimate of extraterrestrial civilizations
original on 15 March 2021. Forgan, D.; Elvis, M. (2011). "Extrasolar Asteroid Mining as Forensic Evidence for Extraterrestrial Intelligence". International Journal
Drake_equation
Fine grained natural soil
kaolinite clay, the bonding between plates is provided by a film of water molecules that hydrogen bond the plates together. The bonds are weak enough to allow
Clay
MOLECULE MINING
MOLECULE MINING
Boy/Male
Finnish, Indian, Sanskrit
Molecule; Particle; Earth; Born of Dust
Girl/Female
African, Bengali, Gujarati, Hindu, Indian, Kannada, Kenyan, Malayalam, Marathi, Sanskrit, Sindhi, Tamil, Telugu
Small; Atom; Black; Molecule; Seed
MOLECULE MINING
MOLECULE MINING
Girl/Female
Tamil
Sweet heart, To live
Male
Irish
Variant spelling of Irish Gaelic Cathal, CATHELD means "mighty in battle."
Surname or Lastname
English
English : habitational name from Pendarves or Pendarves Island in Cornwall.
Biblical
God is my king, or counselor
Male
Celtic
, high king paramount and commander.
Girl/Female
Gujarati, Hindu, Indian, Kannada, Marathi, Mythological, Sanskrit
Daughter of Manu
Boy/Male
Indian
The abaser
Girl/Female
American, Australian, Chinese, Greek, Hebrew
Like God; Crown of Laurel; Modern Similar to Katherine; Pure
Boy/Male
Indian, Sikh
Fearless
Boy/Male
Arabic
Bird.
MOLECULE MINING
MOLECULE MINING
MOLECULE MINING
MOLECULE MINING
MOLECULE MINING
n.
Butylene; -- so called from the four carbon atoms in the molecule.
a.
Between molecules; situated, or acting, between the molecules of bodies.
n.
Butane, each molecule of which has four carbon atoms.
a.
Containing two atoms or equivalents of carbon in the molecule.
a.
Having six atoms in the molecule.
n.
A group of atoms so united and combined by chemical affinity that they form a complete, integrated whole, being the smallest portion of any particular compound that can exist in a free state; as, a molecule of water consists of two atoms of hydrogen and one of oxygen. Cf. Atom.
n.
The smallest part of any substance which possesses the characteristic properties and qualities of that substance, and which can exist alone in a free state.
a.
Having five atoms in the molecule.
n.
The state of consisting of molecules; the state or quality of being molecular.
a.
Pertaining to, connected with, produced by, or consisting of, molecules; as, molecular forces; molecular groups of atoms, etc.
a.
Having two atoms or equivalents of calcium to the molecule.
n.
Butyl; -- so called from the four carbon atoms in the molecule.
n.
A small crustacean with one median eye.
adv.
With molecules; in the manner of molecules.
n.
A chloride having five atoms of chlorine in each molecule.
n.
A minute particle; an atom; a molecule.
n.
A selenide containing two atoms of selenium in each molecule.
n.
An ultimate particle of matter not necessarily indivisible; a molecule.
n.
A chloride having three atoms of chlorine in the molecule.
n.
One of the very small invisible particles of which all matter is supposed to consist.