then, both terms, cheminformatics and chemoinformatics, have been used,[citation needed] although, lexicographically, cheminformatics appears to be more...

the worldwide chemical structure identifier standard". Journal of Cheminformatics. 5 (1): 7. doi:10.1186/1758-2946-5-7. PMC 3599061. PMID 23343401. "What...

The Journal of Cheminformatics is a peer-reviewed open access scientific journal that covers cheminformatics and molecular modelling. It was established...

Its tools have been referenced in cheminformatics studies for predicting pKa values and logP values. Cheminformatics Computational chemistry Molecular...

serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides...

Cheminformatics toolkits are notable software development kits that allow cheminformaticians to develop custom computer applications for use in virtual...

Centre located in Alberta, Canada. As both a bioinformatics and a cheminformatics resource, DrugBank combines detailed drug (i.e. chemical, pharmacological...

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...

access to chemical annotations integrated in PubChem". Journal of Cheminformatics. 11 (1): 56. doi:10.1186/s13321-019-0375-2. PMC 6688265. PMID 31399858...

Examples of machine learning tools for QSAR modeling include: ADME Cheminformatics Computer-assisted drug design (CADD) Conformation–activity relationship...

natural language processing, bioinformatics, medical image computing, cheminformatics, autonomous robotics, mobile robotics, and telecommunications. Many...

a mashup query language used in Microsoft's Power Query MQL is a cheminformatics query language for a substructure search allowing beside nominal properties...

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...

in research software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's...

decision-making Banking Behaviorism Bioinformatics Brain–machine interfaces Cheminformatics Citizen Science Climate Science Computer networks Computer vision Credit-card...

processing. It is developed and owned by ChemAxon and offers various cheminformatics tools in freemium model: chemical property predictions, structure-based...

a community data resource for environmental chemistry". Journal of Cheminformatics. 9 (1): 61. doi:10.1186/s13321-017-0247-6. PMC 5705535. PMID 29185060...

OELib was an open source Cheminformatics library written by Matt Stahl and based on the ideas of OBabel. Its actual GPLed C++ and Java based successors...

used to denote electronegative substituents such as the halides. One cheminformatics study identified 849,574 unique substituents up to 12 non-hydrogen...

RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community...

theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics...

(original and V3000), InChI (and key), and SVG export. Molecule editor Cheminformatics Comparison of software for molecular mechanics modeling Ertl, Peter...

(or molecular similarity) is one of the most important concepts in cheminformatics. It plays an important role in modern approaches to predicting the...

Window Toolkit Accessibility Toolkit Adventure Game Toolkit B-Toolkit Cheminformatics toolkits Dojo Toolkit Fox toolkit GTK, the GIMP Toolkit Google Web...

three-dimensional chemical structures. ChemDraw’s popularity led to the launch of cheminformatics company Cambridge Scientific Computing, later renamed CambridgeSoft...

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...

relationship to informatics, this program belongs more to the category cheminformatics than to molecular modelling. It is available for Windows, Unix and...

conformation generation, docking, shape comparison, charge/electrostatics, cheminformatics and visualization. The software is designed for scientific rigor, as...

structural patterns. Developed by Alvascience, alvaDesc is used in cheminformatics and quantitative structure–activity relationship (QSAR) modeling to...

Chemical space is a concept in cheminformatics referring to the property space spanned by all possible molecules and chemical compounds adhering to a...