• then, both terms, cheminformatics and chemoinformatics, have been used,[citation needed] although, lexicographically, cheminformatics appears to be more...
    13 KB (1,286 words) - 06:37, 11 January 2025
  • The Journal of Cheminformatics is a peer-reviewed open access scientific journal that covers cheminformatics and molecular modelling. It was established...
    6 KB (611 words) - 08:21, 2 March 2025
  • the worldwide chemical structure identifier standard". Journal of Cheminformatics. 5 (1): 7. doi:10.1186/1758-2946-5-7. PMC 3599061. PMID 23343401. "What...
    24 KB (2,538 words) - 13:41, 28 February 2025
  • Cheminformatics toolkits are notable software development kits that allow cheminformaticians to develop custom computer applications for use in virtual...
    4 KB (381 words) - 08:06, 25 May 2024
  • Thumbnail for Open Babel
    serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides...
    7 KB (573 words) - 08:16, 3 February 2025
  • a mashup query language used in Microsoft's Power Query MQL is a cheminformatics query language for a substructure search allowing beside nominal properties...
    8 KB (928 words) - 22:28, 2 February 2025
  • Thumbnail for Frère Jacques
    folksong in China called "Two Tigers". In the fields of chemistry and cheminformatics, the circuit rank of a molecular graph (the number of rings in the...
    24 KB (2,417 words) - 21:01, 21 January 2025
  • Thumbnail for Information engineering
    natural language processing, bioinformatics, medical image computing, cheminformatics, autonomous robotics, mobile robotics, and telecommunications. Many...
    12 KB (1,057 words) - 21:59, 26 January 2025
  • Thumbnail for ChemDraw
    her husband David A. Evans, and Stewart Rubenstein (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in 2011...
    4 KB (381 words) - 23:11, 26 April 2024
  • Centre located in Alberta, Canada. As both a bioinformatics and a cheminformatics resource, DrugBank combines detailed drug (i.e. chemical, pharmacological...
    15 KB (998 words) - 01:15, 12 February 2025
  • Thumbnail for Chemical Computing Group
    in research software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's...
    3 KB (260 words) - 13:29, 3 December 2024
  • decision-making Banking Behaviorism Bioinformatics Brain–machine interfaces Cheminformatics Citizen Science Climate Science Computer networks Computer vision Credit-card...
    135 KB (14,996 words) - 18:19, 12 February 2025
  • access to chemical annotations integrated in PubChem". Journal of Cheminformatics. 11 (1): 56. doi:10.1186/s13321-019-0375-2. PMC 6688265. PMID 31399858...
    11 KB (958 words) - 18:07, 29 April 2024
  • Thumbnail for CompTox Chemicals Dashboard
    a community data resource for environmental chemistry". Journal of Cheminformatics. 9 (1): 61. doi:10.1186/s13321-017-0247-6. PMC 5705535. PMID 29185060...
    10 KB (991 words) - 16:57, 14 April 2024
  • RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community...
    2 KB (71 words) - 13:59, 20 March 2024
  • SSSR may refer to: Smallest Set of Smallest Rings, a cheminformatics term for the minimal cycle basis of a molecular graph Society for the Scientific...
    501 bytes (95 words) - 14:27, 15 January 2025
  • Examples of machine learning tools for QSAR modeling include: ADME Cheminformatics Computer-assisted drug design (CADD) Conformation–activity relationship...
    44 KB (4,394 words) - 12:44, 17 January 2025
  • Thumbnail for Chemicalize
    processing. It is developed and owned by ChemAxon and offers various cheminformatics tools in freemium model: chemical property predictions, structure-based...
    7 KB (417 words) - 18:29, 28 December 2020
  • used to denote electronegative substituents such as the halides. One cheminformatics study identified 849,574 unique substituents up to 12 non-hydrogen...
    13 KB (1,471 words) - 00:22, 30 January 2025
  • Chemaxon (category Cheminformatics)
    Chemaxon (/ˌkɛmˈæksɒn/) is a cheminformatics and bioinformatics software development company, headquartered in Budapest with 250 employees. The company...
    13 KB (1,055 words) - 22:46, 21 February 2025
  • Thumbnail for Tautomer
    the worldwide chemical structure identifier standard". Journal of Cheminformatics. 5 (1): 7. doi:10.1186/1758-2946-5-7. PMC 3599061. PMID 23343401. Warr...
    14 KB (1,492 words) - 15:12, 5 December 2024
  • conformation generation, docking, shape comparison, charge/electrostatics, cheminformatics and visualization. The software is designed for scientific rigor, as...
    7 KB (590 words) - 13:57, 6 February 2025
  • This is a list of free and open-source software (FOSS) packages, computer software licensed under free software licenses and open-source licenses. Software...
    67 KB (5,250 words) - 17:23, 2 March 2025
  • Thumbnail for Emma Schymanski
    and is an advocate for open science. She is currently a Professor of Cheminformatics at the University of Luxembourg. Schymanski graduated with a Bachelor...
    23 KB (2,137 words) - 12:49, 8 January 2025
  • Thumbnail for Chemical similarity
    Chemical similarity (category Cheminformatics)
    (or molecular similarity) is one of the most important concepts in cheminformatics. It plays an important role in modern approaches to predicting the...
    8 KB (849 words) - 14:36, 4 August 2024
  • Window Toolkit Accessibility Toolkit Adventure Game Toolkit B-Toolkit Cheminformatics toolkits Dojo Toolkit Fox toolkit GTK, the GIMP Toolkit Google Web...
    1 KB (141 words) - 17:29, 9 February 2024
  • theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics...
    2 KB (101 words) - 21:32, 17 March 2024
  • Thumbnail for Outline of academic disciplines
    Biochemistry (outline) Chemical biology Chemical engineering (outline) Cheminformatics Computational chemistry Cosmochemistry Electrochemistry Environmental...
    65 KB (4,327 words) - 22:27, 16 February 2025
  • processing. The software's functionality spans several domains, including cheminformatics, QSAR, next-generation sequencing, image analysis, and text analytics...
    10 KB (963 words) - 20:33, 21 January 2025
  • Thumbnail for Melting point
    several hundred thousand compounds mined from PATENTS". Journal of Cheminformatics. 8: 2. doi:10.1186/s13321-016-0113-y. PMC 4724158. PMID 26807157. Model[permanent...
    27 KB (3,069 words) - 09:46, 10 February 2025