FAQ
Q: Why should I use drug-INSTAR?
Q: How do I search?
Q:What are smiles?
Q:What are InChI?
Q: How can I draw my query structure?
Q: what will be the search results?
Q: how can I get detail information of particular compound?
Q: how can I zoom 2D and 3D view and utilize it?
Q: which services provide Drug-INSTAR?
Q: what is the advantage to register in Drug-INSTAR?
Q: How can I register in Drug-INSTAR?
Q: How can I login in Drug-INSTAR?
Q. Why should I use drug-INSTAR?
Ans: Drug-INSTAR: an online comprehensive searchable information system for natural products is a web application for yielding as much information as possible about natural products and pathway which involved in natural products biosynthesis as well as provides services related to chemo-informatics.
You can use it simply by using different option like search, services and login.
Q. How do I search?
Ans:Drug INSTAR provide different option for searching like structure search, functional group search and text search which are available in Home page. Using such tab you can search your query in different ways.
- Structure search: These means you can draw your query in drawing tool or upload mol file available in structure search tab and search related compound from drug- INSTAR in following manner.
- Substructure search: The Substructure Search feature is used to locate products by chemical structure. Simply draw a structure or structure fragment in the drawing tool and click the Search button.
- Exact search: In exact search the query structure represents the complete molecule.
- You may your search more sophisticated using filter like-
- Strict atom/bond type comparison: Strict (all atom) queries will match cases in which atom types, bond types, stereochemistry, and aromaticity are the same.
- Check configuration (E/Z and R/S): for checking geometry of double bond and chiral center
 OR

- Functional group search: Searching for molecules containing particular functional groups can be easily implemented by using functional group search tab. The user is presented with a selection list (multiple selections should be possible, usually done with Ctrl-Click or Shift-Click), select the query and use ‘submit’ button to get appropriate results.

- Text search: In this tab user can search their query with different manner like-

- Name of compound
- Systematic name
- Canonical smiles
- Pubchem ID
- InChI
- Select the any letter of your search term. Use this search when you aren’t sure of the exact spelling of a product or write any part of name of product.
Q:What are smiles?
Ans:The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings. A SMILES string is human understandable, very compact, and if canonicalized represents a unique string that can be used as a universal identifier for a specific chemical structure. In addition, a chemically correct and comprehensible depiction can be made from any SMILES string symbolizing either a molecule or reaction.it can generate molecular structure in a specilized format.
Q:What are InChI?
Ans: The IUPAC International Chemical Identifier (InChI, pronounced "INchee") is a textual identifier for chemical substances, designed to provide a standard and human-readable way to encode molecular information and to facilitate the search for such information in databases and on the web. Developed by IUPAC and NIST during 2000-2005, the format and algorithms are non-proprietary and the software is freely available under the open source LGPL license (though the term "InChI" is a trademark of IUPAC).
Q. how can I draw my query structure?
Ans:This search tool provide drawing applet for sketch the chemical structure with different option like Edit ,View, Insert, Report etc.

The Edit Menu
- Undo: Recovers the state of the frame before the last operation that you did.
- Redo: Redos the last undo.
- New: Cleans the document (in the standalone up, there is a New item in the File menu).
- Cut Selected: Removes the selected part from the model.
- Select all: Selects and marks all atoms in the molecule, so that it can be rotated, moved, deleted, etc. This is the only chance to recover parts of the molecule that are outside the display area - select all, go into move mode and move the molecule using a visible part of it.
- Hydrogens
- Add Implicit Hydrogens
- If switched on, implicit hydrogens will be calculated for all atoms and added. As long as the mode is switched on, the implict hydrogen count will be adjusted. Note that:
- The implict hydrogens will be only visible when the option "Show implicit hydrogens when the atom symbol is shown" is selected in View -> Options (default: on). For which atoms the symbols are visible is controlled by other settings here.If the hydrogens will be contained in an exported file, depends on the file format.(e. g. CML has got implicit Hs, mol has not).
- Make Hydrogens Explicit: This will transform implicit hydrogens to separate atoms connected by a single bond. This will only have an effect if you are in implicit mode (see "Add implicit Hydrogens")
- Make Hydrogens Implicit: This will delete bonds to hydrogens and add hydrogens directly to their parent atoms as implicit hydrogens.
- Adjust Bond Orders: Sets the order of all bonds so that every atom is saturated.
- Reset Bond Orders: Sets the order of all bonds to single.
- Clean Up: This changes coordinates of atoms a length of bonds to standard representation.
- Model Properties: Changes properties for this frame. Current properties are: author (who generated this model), generation date and software. Additionally, a cas number and checksum can be given.
The View Menu
- Toolbar/Menu bar/Status bar: Here you can switch on and off these elements.
- Direct Entry as SMILES/InChI/CAS: If you have switched this on, you have field in the toobar where you can directly enter SMILES/InChI/CAS string.
- Zoom in: Enlarges the structure(s) painted.
- Zoom out: Scales down the structure(s) painted.
- Zoom 100%: Zooms to the original size.
- Properties: Here you can enter some propeties (e. g. if atom numbers shall be drawn) which determine the look of the molecule
The Insert Menu
Insert SMILES/InChI/CAS
Can be used in to type a SMILES/InChI/CAS number of which the structure is to be drawn.
The SMILES is parsed by CDK's smiles.SmilesParser class and layout into a 2D structure using the layout.StructureDiagramGenerator.
The CAS number is looked up in the pubchem database. You need to be online to have this working. If the CAS is not in PubChem, it will not work.
The Report Menu
Validate Run Validate:
Checks the validity of the structure. Clear Validate Results: Clears the validation results. Create SMILES: Creates and displays the SMILES of the current strucure(s).
.
Q. what will be the search results?
Ans: when user submitted their query, search results screen shows closest or similar matches with their structure and general information like name, systematic name, molecular weight, Molecular formula, pubchem ID and smiles of each compound.

Q. how can I get detail information of particular compound?
Ans: After getting search results list choose compound of your interest then click on the structure of this compound which will display more information of this compound like-
- General–systematic name, molecular formula, molecular weight, pubchem ID, smiles, InChI, average mass, synonyms.
- Source- Source of particular natural compound, their biosynthesis pathway and extraction processes.
- Properties-
- molecular properties-LogP, H-Bond Acceptor, H-Bond Donor, Free Rotating Bond, complexity.
- Physical properties-Index of refrection, moler volume, surface tension, polarizability, surface-tension, molar refrectivity, vapour pressure density, flash point, boiling point
- Biological properties
- Uses-use of particular compound in different scientific discipline
- Bioassay link- click on bioassay link which open the pubchem bioassay window of particular compound
- Product–product supplier information
- 2D and 3D visualization-click on 2D and 3D view tab in structure window and visualize the molecule.

Q. how can I zoom 2D and 3D view and utilize it?
Ans: click on zoom button below the structure window and view the zoom image in new pop-up window. In 3D view after right click a menu list will open which provide different option to visualize 3D structure in different format.
Q. which services provide Drug-INSTAR?
Ans: click on services menu and utilize chem-informatics services like-
- Structure drawing
- File converter
- Descriptors calculation
Q. what is the advantage to register in Drug-INSTAR?
Ans: Register user after login can utilize all services of Drug-INSTAR with advantages like-
- User can see their previous search history and again search that particular search.
- User can save compound of interest in their account and utilize these compound at any time without searching.
Q. How can I register in Drug-INSTAR?
A. click on ‘LOGIN’ menu and open “register here” page then fill the required entries and submit it. Field which have * sign is compulsory for registration.
Q. How can I login in Drug-INSTAR?
A. already register can use such facilities by click on ‘LOGIN’ menu than fill their own ‘EMAIL’ and ‘password’ in particular field. After submitting the entries a new will open for particular registered user.
GLOSSARY
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Abscisic acid (ABA) pathway: The role of abscisic acid (ABA) in the signal transduction pathway associated with NaCl-induced up-regulation of antioxidant enzyme activity was examined in a NaCl-tolerant cotton callus cell line treated with NaCl, ABA, paraquat, or H2O2 in the presence and absence or fluridone, an inhibitor of terpene, and therefore, ABA synthesis. Treatment with NaCl resulted in a rapid increase (within 30 minutes) in the ABA levels of the callus tissue, and the NaCl, ABA, and paraquat treatments induced rapid increases in the activities of superoxide dismutase, catalase, peroxidase, and glutathione reductase.
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Adenine: One of the four nucleotide bases in DNA or RNA; pairs with thymine in DNA or uracil in RNA.
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Affected relative pair: An affected relative pair consists of two organisms related genetically that are both affected by the same trait. For example, two cousins who both have blue eyes are an affected relative pair since they are both affected by the allele coding for blue eyes.
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Allele: One of multiple alternative forms of a single gene, each of which is a viable DNA sequence occupying a given position, or locus on a chromosome. For example, in humans, one allele of the eye-color gene produces blue eyes and another allele of the eye-color gene produces brown eyes.
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Antibacterial, antibacterial drug, bactericide: Any drug that destroys bacteria or inhibits their growth.
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Antibiotic: An antibiotic is a substance or compound that kills bacteria or inhibits their growth.
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Antifungal: Any agent that destroys or prevents the growth of fungi.
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Antimicrobial: An agent (as heat or radiation or a chemical) that destroys microorganisms that might carry disease.
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Antineoplastic: Antineoplastic drug, cancer drug :any of several drugs that control or kill neoplastic cells; used in chemotherapy to kill cancer cells; all have unpleasant side effects that may include nausea and vomiting and hair loss and suppression of bone marrow function.
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Antiparasitic: Antiparasitics are a class of medications which are indicated for the treatment of parasitic diseases such as nematodes, cestodes, trematodes, infectious protozoa, and amoebas.
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Antiviral drug: Antiviral drugs are a class of medication used specifically for treating viral infections.
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Base pair: A pair of nucleotide bases on complementary DNA or RNA strands organized in a double helix.
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Bioassay: Bioassay is a shorthand commonly used term for biological assay and is a type of scientific experiment. Bioassays are essential in the development of new drugs, and monitoring pollutants in the environment.
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Biosynthesis: A process where chemical compounds are made in the body from simpler compounds or smaller molecules, an important part of metabolism.
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Boiling point: The boiling point is the temperature at which the material changes from a liquid to a gas.
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Chemical formula: A chemical formula is a way of expressing information about the atoms that constitute a particular chemical compound, and how the relationship between those atoms changes in chemical reactions.
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Chemical name: The chemical name is a proper scientific name for an ingredient of a product. For example, the chemical name of the herbicide 2,4-D is 2,4-dichlorophenoxyacetic acid. The chemical name can be used to obtain additional information.
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Chromosome: A molecular "package" for carrying DNA in cells, organized as two double-helical DNA molecules that encode many genes. Some simple organisms have only one chromosome made of circular DNA, while most eukaryotes have multiple chromosomes made of linear DNA.
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Cofactor: A cofactor is a non-protein chemical compound that is bound (either tightly or loosely) to a protein and is required for the protein's biological activity.
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Compound: Consisting of two or more substances, ingredients, elements, or parts.
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Cytosine: One of the four nucleotide bases in DNA or RNA; pairs with guanine.
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Cystine: One of the four nucleotide bases in DNA or RNA; pairs containing sulphur atom.
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Database: Collection of data stored on a computer storage medium in a common pool for access.
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Density: The density of a material is its weight for a given volume. Density is usually given in units of grams per millilitre (g/mL) or grams per cubic centimetre (g/cc).
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DNA replication: DNA replication, the basis for biological inheritance, is a fundamental process occurring in all living organisms to copy their DNA. This process is "semiconservative" in that each strand of the original double-stranded DNA molecule serves as template for the reproduction of the complementary strand.
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DNA: A polymeric molecule made of deoxyribonucleotides, hence then name deoxyribonucleic acid. Most often has the form of a "double helix", which consists of two paired DNA molecules and resembles a ladder that has been twisted. The "rungs" of the ladder are made of base pairs, or nucleotides with complementary hydrogen bonding patterns.
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Drug discovery: In the fields of medicine, biotechnology and pharmacology, drug discovery is the process by which drugs are discovered and/or designed.
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Drug: A drug, broadly speaking, is any substance that, when absorbed into the body of a living organism, alters normal bodily function.
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Empirical formula: The empirical formula of a chemical is a simple expression of the relative number of each type of atom or ratio of the elements in the compound
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Feedback: Feedback describes the situation when output from (or information about the result of) an event or phenomenon in the past will influence the same event/phenomenon in the present or future. When an event is part of a chain of cause-and-effect that forms a circuit or loop, then the event is said to "feed back" into itself.
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Flash point: The flash point is the lowest temperature at which a liquid or solid gives off enough vapour to form a flammable air-vapour mixture near its surface. The lower the flash point, the greater the fire hazard.
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Fungicides: Fungicides are chemical compound s or biological organisms used to kill or inhibit fungi or fungal spores.
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Gene expression: The process in which the information encoded in a gene is converted into a form useful for the cell. The first step is transcription, which produces a messenger RNA molecule complementary to the DNA molecule on which a gene is encoded. For protein-coding genes, the second step is translation, in which the messenger RNA is read by the ribosome to produce a protein.
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Gene pool: The sum of all the alleles shared by members of a single population.
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Gene synthesis: Gene synthesis is the process of synthesizing an artificially designed gene into a physical DNA sequence.
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Gene: A set of segments of nucleic acid that contains the information necessary to produce a functional RNA product in a controlled manner. In living organisms, it is a unit of heredity and typically encoded in DNA. A particular gene can have multiple different forms, or alleles, which are defined by different sequences of DNA.
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Genetics: The field of biology that studies genes and their inheritance.
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Genome: The entire complement of genetic material in the chromosome set of an organism, virus or organelle.
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Genotype: The complement of alleles present in a particular individual's genome that give rise to the individual's phenotype.
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Guanine: One of the four nucleotide bases in DNA or RNA; pairs with cytosine.
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Hormones: Hormones are chemicals released by cells that affect cells in other parts of the body. Only a small amount of hormone is required to alter cell metabolism.
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Inflammation: Inflammation (Latin, inflamatio, to set on fire) is the complex biological response of vascular tissues to harmful stimuli, such as pathogens, damaged cells, or irritants.
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Ingestion: Ingestion means taking a material into the body by mouth (swallowing).
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Inhibitors: Inhibitors are molecules that bind to enzymes and decrease their activity.
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Insecticides: A chemical used to kill insects.
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Isolation: The act of being alone; separation.
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Ligand: An atom, ion, or molecule (see also: functional group) that binds to a central metal to produce a coordination complex.
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Locus: A location on a chromosome where a particular gene resides.
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Macroecology: The study of large scale ecological phenomena.
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Marine ecology: Where the dominant environmental milieu is water.
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Mark and Recapture: Used to estimate populations and find survival rates, movement and growth.
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Medication: A medication or medicine is a drug taken to cure and/or ameliorate any symptoms of an illness or medical condition, or may be used as preventive medicine that has future benefits but does not treat any existing or pre-existing diseases or symptoms.
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Melting point: The melting point is the temperature at which a solid material becomes a liquid.
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Metabolic theory of ecology: Theory that explains the relationship between an organism's body mass and metabolic rate
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Metabolism: Metabolism is the set of chemical reactions that occur in living organisms to maintain life. These processes allow organisms to grow and reproduce, maintain their structures, and respond to their environments.
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Mevalonate pathway: The mevalonate pathway or HMG-CoA reductase pathway or mevalonate-dependent (MAD) route or isoprenoid pathway, is an important cellular metabolic pathway present in all higher eukaryotes and many bacteria.
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Microbial ecology: The ecology of micro-organisms.
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Micro-climate: An area influenced by either natural or manmade features that change the climatic conditions from the normal regional climate.
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Microecology: The study of small scale ecological phenomena.
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Migration: the movement of organisms from one place to another.
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Mixture: A composition of two or more substances that are not chemically combined with each other and are capable of being separated.
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mm Hg: The abbreviation mm Hg stands for millimeters (mm) of mercury (Hg). It is a common unit of measurement for the pressure exerted by gases such as air. Normal atmospheric pressure is 760 mm Hg.
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Molecular ecology: A field of evolutionary biology concerned with applying molecular population genetics, molecular phylogenetics, and genomics to traditional ecological questions. Essentially the same as ecological genetics
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Molecular formula: A molecular formula is a way of expressing information about the atoms that constitute a particular chemical compound, and how the relationship between those atoms changes in chemical reactions.
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Molecules: A molecule can be most properly defined as a group of atoms joined in a specific structure. Molecular weight: The molecular weight of a chemical is a number showing how heavy one molecule (or unit) of the chemical is compared to the lightest element, hydrogen, which has a weight of 1. The molecular weight has various technical uses, such as calculating conversions from parts per million (ppm) to milligrams per cubic metre (mg/m3) in air.
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Mutation: Is a change in the base pair sequence of DNA or RNA.
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Mutualism: A biological interaction between individuals of two different species, where each individual derives a fitness benefit. It includes relationships which are mutualistic, parasitic or commensal.
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Natural product: A natural product is a chemical compound or substance produced by a living organism - found in nature that usually has a pharmacological or biological activity for use in pharmaceutical drug discovery and drug design. A natural product can be considered as such even if it can be prepared by total synthesis.
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Natural resources: Natural resources (economically referred to as land or raw materials) occur naturally within environments that exist relatively undisturbed by mankind, in a natural form. A natural resource's is often characterized by amounts of biodiversity existent in various ecosystems.
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Neurotoxins: Neurotoxins are agents that can cause toxic effects on the nervous system.
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Neurotransmission: Is an electrical movement within synapses caused by a propagation of nerve impulses.
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Nucleotide: One of the four monomers that make up a DNA molecule.
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Oligonucleotide synthesis: Oligonucleotide synthesis is the chemical synthesis of relatively short fragments of nucleic acids with defined chemical structure (sequence).
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pest: An injurious or unwanted animal or plant.
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pH: The pH is a measure of the acidity or basicity (alkalinity) of a material when dissolved in water.
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Phenotype: The observable physical or behavioral traits of an organism, largely determined by the organism's genotype.
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Polymer: A polymer is a natural or man-made material formed by combining units, called monomers, into long chains.
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Polymerase chain reaction: The polymerase chain reaction (PCR) is a technique to amplify a single or few copies of a piece of DNA across several orders of magnitude, generating millions or more copies of a particular DNA sequence.
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Protein: A linear polymeric molecule made of amino acids linked by peptide bonds. Proteins carry out the majority of chemical reactions that occur inside the cell.
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Purification: Purification is the process of rendering something pure, i.e. clean of foreign elements and/or pollution.
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Receptor: A receptor is a protein molecule, embedded in either the plasma membrane or cytoplasm of a cell, to which a mobile signaling (or "signal") molecule may attach.
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Resource extraction: Refer to the practice of locating, acquiring and selling any resource, but typically a natural resource.
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Salvage pathway: A salvage pathway is a pathway in which nucleotides (purine and pyrimidine) are synthesized from intermediates in the degradative pathway for nucleotides.
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Semisynthesis: Type of chemical synthesis that uses compounds isolated from natural sources (e.g. plant material or bacterial or cell cultures) as starting materials. These natural biomolecules are usually large and complex molecules.
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Shikimic acid pathway: Metabolic pathway in plants and microorganisms, by which the aromatic amino acids (phenylalanine, tyrosine and tryptophan) are formed from phosphoenolpyruvate and erythrose 4 phosphate via shikimic acid. The aromatic amino acids in turn serve as precursors for the formation of lignin and other phenolic compounds in plants. Inhibitors of this pathway are used as herbicides.
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Solubility: Solubility is the ability of a material to dissolve in water or another liquid. Solubility may be expressed as a ratio or may be described using words such as insoluble, very soluble or miscible.
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Source: A facility where something is available .
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Synonyms: Synonyms are alternative names for the same chemical. For example, methanol and methyl hydrate are synonyms for methyl alcohol. Synonyms may help in locating additional information on a chemical.
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Systematic name: The existence of non-standard common names in different languages for entities studied by the scientific communities and the overloading of a single name to describe different entities from a same field of study makes scientific communication harder and causes unproductive name disputes. As a response, a number of systems of standardized and systematic names have been created.
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Thymine: One of the four nucleotide bases in DNA; pairs with adenine. In RNA, thymine is replaced with uracil.
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Toxic, Toxicity: Toxic means able to cause harmful health effects. Toxicity is the ability of a substance to cause harmful health effects.
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Trade name: A trade name is the name under which a product is commercially known.
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Transcription: The first step in gene expression, in which a messenger RNA molecule complementary to particular gene encoded in DNA is synthesized by enzymes called RNA polymerases. To produce a functional protein, transcription is followed by translation.
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Translation: The second step in gene expression, in which a messenger RNA molecule is read by the ribosome to produce a functional protein. Translation is always preceded by transcription.
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Uracil: One of the four nucleotide bases in RNA; pairs with adenine. In DNA, uracil is replaced with thymine.
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Vaccine: A vaccine is a biological preparation that improves immunity to a particular disease. A vaccine typically contains a small amount of an agent that resembles a microorganism.
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Vapour density: Vapour density is the weight per unit volume of a pure gas or vapour.
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Vapour pressure: Vapour pressure is a measure of the tendency of a material to form a vapour. The higher the vapour pressure, the higher the potential vapour concentration.
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Vapour: A vapour is the gaseous form of a material which is normally solid or liquid at room temperature and pressure.
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Vertebrate: Vertebrates are members of the subphylum Vertebrata, chordates with backbones or spinal columns.
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