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  2. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    Chemicals from European Molecular Biology Laboratory EMBL: molecules with drug-like properties "ChEMBL". 1,961,000 cheML.io: Departments of Computer Science and Chemistry at Nazarbayev University de novo molecules generated by ML models SMILES, computed properties artificially generated "cheML.io". [3] 2,800,000 ChemDB chemical database small ...

  3. Molecule editor - Wikipedia

    en.wikipedia.org/wiki/Molecule_editor

    A notable molecule editor is a computer program for creating and modifying representations of chemical structures.. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively.

  4. List of chemical elements - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_elements

    A chemical element, often simply called an element, is a type of atom which has a specific number of protons in its atomic nucleus (i.e., a specific atomic number, or Z). [ 1 ] The definitive visualisation of all 118 elements is the periodic table of the elements , whose history along the principles of the periodic law was one of the founding ...

  5. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    Molecular building (DNA, proteins, hydrocarbons, nanotubes), molecular dynamics, GPU acceleration Mixed: free open source & commercial: Ascalaph Project: Avogadro: Yes Yes Yes No No No I No No Molecule building, editing (peptides, small molecules, crystals), conformational analysis, 2D/3D conversion; extensible interfaces to other tools

  6. CPK coloring - Wikipedia

    en.wikipedia.org/wiki/CPK_coloring

    Several of the CPK colors refer mnemonically to colors of the pure elements or notable compound. For example, hydrogen is a colorless gas, carbon as charcoal, graphite or coke is black, sulfur powder is yellow, chlorine is a greenish gas, bromine is a dark red liquid, iodine in ether is violet, amorphous phosphorus is red, rust is dark orange-red, etc.

  7. PubChem - Wikipedia

    en.wikipedia.org/wiki/PubChem

    PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be freely downloaded via FTP. PubChem contains multiple substance descriptions and small molecules with fewer than 100 atoms and 1,000 bonds. More than 80 database vendors contribute to the growing PubChem database. [2]

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