Overview of molecular databases

This article introduces the global database of compounds and drug molecules that is free to the public and is particularly useful for chemical and drug research.

(Note: The following information comes from MedKoo Biosciences, Inc. of the United States)

1. U.S. National Library of Medicine Chemical ID Card (CHEMIDPLUS) database

The The web page can search for the chemical structure of drugs. This website can use the drug name to search for its chemical structure. In addition, this database can also check toxicity, physical and chemical properties, drug codes, etc.

2. Pharmaceutical chemical structures can be searched in the U.S. National Library of Medicine PUBCHEM database

This database is a large-scale database of the U.S. National Institutes of Health (NIH) and the U.S. National Library of Medicine (NLM). Drug molecule library. NIH is a U.S. medical research institution with 27 institutions and centers. It is also an integral part of the U.S. Department of Health and Human Services. It is a key federal agency that conducts and supports basic, clinical, and translational medical research investigating the causes, treatments, and cures for common and rare diseases. The PubChem database is an integral part of the US National Institutes of Health's Molecular Library Roadmap Program and is a comprehensive database of chemical structures and molecular biological activities developed by the NIH National Center for Biotechnology Confidence.

3. National Cancer Institute (NCI) Anticancer Drug Dictionary

This data collects more than 4,000 terms and compound properties related to cancer medicine.

4. Drug Synthesis Database (Drug Synthesis Database)

This data is a database launched by this drug online network. This database provides drug synthesis related information for nearly 7,000 drugs that are on the market or under development. Information, such as drug name, structural formula, chemical name, CAS registration number, molecular formula, molecular weight, chemical activity, development stage, research institution, etc. The biggest advantage is to quickly search for synthetic routes and provide reference sources.

Retrieval conditions support fuzzy query, and the search relationship between input conditions is logical AND (that is, AND relationship). Select one of the search conditions to query. Search methods include:

*Drug name: (Note: including generic name, brand name, R&D code, synonyms, etc.). Such as Loratadine, Cefpirome.

*Chemical name: (Note: including CA naming, common naming, etc.).

*CAS registration number: (Note: American Chemical Abstracts registration number).

5. Organic Synthesis Methods Database

Since 1921, OrganicSyntheses has provided the chemistry community with annual collections ofdetailed, reliable, and carefully checked procedures for the synthesis oforganic compounds. Some procedures describe practical methods for the preparation of specific compounds of interest, while other procedures illustrate important synthetic methods with general utility. Each procedure is written in considerable more detail as compared to typical experimental procedures in other journals, and each reaction and all characterization data has been carefully checked for reproducibility in the laboratory ofa member of the Board of Editors.

Organic Syntheses procedures may be accessed either via the tables of contents of individual volumes (journal mode) or by conducting structure and keywordsearches (database mode). Specific in dividual procedures can be accessed via the table of contents for either the original annual volume or collective volume in which the procedure appeared. Database modeallows users to simultaneously search all volumes of Organic Syntheses bykeywords or by inputting structures and substructures. Structure searchingrequires the ChemDraw plugin which can be downloaded according to the instructions found in the left margin. Articles from future volumes of OrganicSyntheses that are not yet incorporated in the searchable database can be accessed on the

Org Syn Express page.

6. Organic Name Reactions

This database is a database launched by Drug Online. The Organic Name Reactions (ONR) section is intended to serve the professional chemist and student by describing organic chemical reactions which have come to be recognized and referred to by name within the chemistry community. A selectgroup has been chosen for addition to this section. Each reaction description is designed to be informative and representative of the pertinent literature; however, it is not meant to be comprehensive. The descriptions are composed of the following: (1) name(s) associated with the reaction, (2) the originaland/or primary contributor(s) connected with the discovery and/or development of the reaction, (3) a concise description of the transformation, (4) areaction scheme, (5) key references, and (6) cross references to other ONRbased on commonalities. The index included in this section also lists supplementary terms.

7. Organic synthesis reaction library

This data is a database launched by this drug online. It contains more than 400 organic synthesis reactions.

8. Chemical Index Database

This database is launched by Drug Online. This database is a chemical substance property database that contains a large amount of pharmacologically active and biologically active substance property information data. The search conditions support fuzzy query, and the search relationship between input conditions is logical AND (i.e. AND relationship). Chemical structural formulas are images in vector format. You can use the system's built-in image preview tool or tools that support this format for lossless zoom viewing. Search results include: (a) Index information: such as substance name, chemical structural formula diagram, Chemical Abstracts registration number (CAS), CA name, trademark name, chemical structural formula, molecular formula, molecular weight, elemental composition, etc. (b) References: Provide valuable reference documents such as important journals, patents, reviews, etc. that disclose the physical and chemical properties of substances, preparation methods, analytical methods, pharmacological effects, clinical research, etc.

(c) Material properties: including physical and chemical property data, such as melting point, boiling point, flash point, solubility, polycrystalline material state, spectral absorption characteristic data, drug treatment classification, etc.

The search methods are:

*Substance name (English name): (including the full name or part (more than 3 characters) of the chemical name, common name, trade name, synonyms, etc., such as Ceftriaxone, Adefovir.)

*CA Registration Number (CAS Registry Number):

*Note: American Chemical Abstracts Registration Number

*Literature References

*Pharmacological Activity (Keywords)

*Usages (Usages)

*Therapeutic Category (Therapeutic Category)

*Molecular Formula (Molecular Formula)

*Molecular Weight

*Melting Point

*Note: Melting point value, in degrees Celsius

*Boiling Point )

*Note: Boiling point value, in degrees Celsius

*Dissociation constant (pKa)

*Specific rotation (Optical Rotation)

*Oil-water partition coefficient (LogP)

*Maximum absorption value (Absorption Maximum)

*Density (Density)

*Refractive index (Index of Refraction)

*Toxicity data (Toxicity)