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
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
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
Information engineering (section Cheminformatics)
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
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
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
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
Quantitative structure–activity relationship (category Cheminformatics)
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
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
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
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
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
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
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