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...

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

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

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

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

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

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...

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...

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

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

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

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

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

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

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

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

the Blood-Mammary Barrier. Biopharmaceutics Classification System Cheminformatics Chemistry Development Kit JOELib Implicit solvation Lipinski's rule...

v t e Computational chemistry software Cheminformatics Chemical kinetics Molecular modelling and visualization List of molecular graphics systems Molecular...

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

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

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

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...

Standards in chemistry: The Blue Obelisk five years on". Journal of Cheminformatics. 3 (1): 37. doi:10.1186/1758-2946-3-37. PMC 3205042. PMID 21999342...

processing. The software's functionality spans several domains, including cheminformatics, QSAR, next-generation sequencing, image analysis, and text analytics...

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

complicated a piece of computer code is. In the fields of chemistry and cheminformatics, the cyclomatic number of a molecular graph (the number of rings in...

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

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

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