Atom Biology General Molecule Reaction Tools Trial Virus

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openbabel.cheminfo.org/v1/convert - Web API
How to make a HTTP request to the Open Babel Web API at openbabel.cheminfo.org/v1/conv ert?You can call the Open Babel Web API at https://openbabel.cheminfo.org /v1/convertwith a HTTP POST request as shown below. 1. Use "curl" command to call the Web API to generate a 3D SDF file from a given SMILES... 2023-01-24, 524🔥, 0💬

Open Babel Web Interface at cheminfo.org
Is there any Web interface available for Open Babel? I want to try it before installing it on my local computer. You can try Open Babel on the Web interface provided by cheminfo.org. 1. Go to http://www.cheminfo.org/Chemis try/Cheminformatics/FormatConv erter/index.html. You see the Web interface tha... 2023-01-24, 494🔥, 0💬

"DNF/YUM install" - Open Babel Binary Packages
How to install Open Babel binary packages with DNF/YUM commands on CentOS systems? If you are running CentOS 8, you can follow this tutorial to install Open Babel binary packages: 1. Install "openbabel" package: fyicenter$ sudo sdf install openbabel Installed: openbabel-3.1.1-14.el8.x86_64 openbabel... 2023-01-24, 377🔥, 0💬

"-o svg -xd -d" Bug in Open Babel 3.1.1
Why "obabel ... -o svg -xd -d" is not able to remove hydrogens? It seems to be code bug in the "obabel" command in Open Babel 3.1.1 release. In Open Babel 3.1.1 release, options -xd and -d are not respected together for SVG output in the "obabel -i sdf -o svg -xC -xt -xP400 -xd -d" command. For exam... 2023-01-24, 327🔥, 0💬

Molecule Systematic Names and Common Names
What are Molecule Systematic Names and Common Names? Molecule Systematic Names are derived with a nomenclature system for simple organic molecules. Some rules used by the nomenclature system for binary (two-element) molecules are: The more electropositive atom is written first and the more electrone... 2023-01-24, 438🔥, 0💬

Brand Names vs. Generic Names for Drugs
What are the differences between brand names and generic names for molecules developed as medical drugs? The Brand Names of a drug is given by the company who developed the drug. The brand name is a trademark of the owner company. The Generic Names of a drug is assigned, in the United States, by the... 2023-01-24, 379🔥, 0💬

Molecule FYI-1002056
Molecule Summary: ID: FYI-1002056 Names: LIPITOR; InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-L SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O) [O-])O)O)C2=CC=C(C=C2)F)C3=CC= CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C 1=C(C(=C(N1CCC(CC(CC(=O)[O-])O )O)C2=CC=C(C=C2)F)C3=CC=CC=C3) C(=O)NC4=CC=CC=C4.[Ca+2]Received at FYIcenter.com on:... 2023-01-24, 1354🔥, 0💬

Molecule FYI-1002057
Molecule Summary: ID: FYI-1002057 Names: InChIKey: CQERVFFAOOUFEQ-UHFFFAOYSA-O SMILES: O=C(c1cncc(Br)c1)N3CCC([NH+]2C CCC2)CC3Received at FYIcenter.com on: 2023-01-24 2023-01-24, 1037🔥, 0💬

Molecule FYI-1002055
Molecule Summary: ID: FYI-1002055 Names: InChIKey: ATCCWKYKHCKDGT-UHFFFAOYSA-N SMILES: O=C3CN=C(c1ccccc1)c2cc(Br)ccc2 N3Received at FYIcenter.com on: 2023-01-24 2023-01-24, 1301🔥, 0💬

Molecule FYI-1002051
Molecule Summary: ID: FYI-1002051 Names: InChIKey: GACQNUHFDBEIQH-HNNXBMFYSA-N SMILES: Cc5ccc(c2ccc1ncc4c(c1n2)n(C3CC N(C(=O)[C@H](C)O)CC3)c(=O)n4C) cn5Received at FYIcenter.com on: 2023-01-24 2023-01-24, 1221🔥, 0💬

Molecule FYI-1002052
Molecule Summary: ID: FYI-1002052 Names: InChIKey: PMATZTZNYRCHOR-IMVLJIQESA-N SMILES: C/C=C/CC(C)C(O)C1C(=O)NC(CC)C( =O)N(C)CC(=O)N(C)C(CC(C)C)C(=O )NC(C(C)C)C(=O)N(C)C(CC(C)C)C( =O)NC(C)C(=O)NC(C)C(=O)N(C)C(C C(C)C)C(=O)N(C)C(CC(C)C)C(=O)N (C)C(C(C)C)C(=O)N1CReceived at FYIcenter.com on: 2023-01-24 2023-01-24, 1160🔥, 0💬

Molecule FYI-1002054
Molecule Summary: ID: FYI-1002054 Names: InChIKey: GBQVZNKFIVRWDH-WDEREUQCSA-N SMILES: CN(C)C[C@@H]1C[C@H](C(C)(C)C)C CC1=OReceived at FYIcenter.com on: 2023-01-24 2023-01-24, 1139🔥, 0💬

Molecule FYI-1002053
Molecule Summary: ID: FYI-1002053 Names: InChIKey: RNJVAUBBYGWVBF-UHFFFAOYSA-N SMILES: C=CC(=O)OC(C)COCC(C)OC(=O)C=C Received at FYIcenter.com on: 2023-01-24 2023-01-24, 958🔥, 0💬

Molecule FYI-1002049
Molecule Summary: ID: FYI-1002049 Names: InChIKey: HEFNNWSXXWATRW-SNVBAGLBSA-N SMILES: CC(C)Cc1ccc([C@@H](C)C(=O)O)cc 1Received at FYIcenter.com on: 2023-01-24 2023-01-24, 2391🔥, 0💬

Molecule FYI-1002050
Molecule Summary: ID: FYI-1002050 Names: MOTRIN; ADVIL; IBUPROFEN; InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O Received at FYIcenter.com on: 2023-01-24 2023-01-24, 1133🔥, 0💬

Molecule FYI-1002047
Molecule Summary: ID: FYI-1002047 Names: ACETOSALIC ACID; BAYER; ASPIRIN; InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N SMILES: CC(=O)OC1=CC=CC=C1C(=O)O Received at FYIcenter.com on: 2023-01-24 2023-01-24, 1118🔥, 0💬

Molecule FYI-1002048
Molecule Summary: ID: FYI-1002048 Names: TYLENOL; ACETAMINOPHEN; InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N SMILES: CC(=O)NC1=CC=C(C=C1)O Received at FYIcenter.com on: 2023-01-24 2023-01-24, 1103🔥, 0💬

Search Molecule by Name
Can I search for a molecule by its name? Yes. You can search for a molecule by its name using the search tool prepared by FYIcenter.com. All you need to do is to enter a name, and click the "Submit" button below. If a molecule is found for the given name, it will be displayed below: Molecule found b... 2023-01-24, 3181🔥, 0💬

SDF Generator from SMILES
How to generate the molecule structure in SDF format from a SMILES string? To help you to generate the molecule structure in 2D or 3D SDF format from a SMILES string, FYIcenter.com provides this SDF/Mol Generator tool. All you need to do is to: Enter a SMILES string and click the "Submit" button. Mo... 2023-01-22, 13102🔥, 3💬

💬 2023-01-22 Sonia: Great tool! Thanks.

💬 2022-05-15 Diksha: it is very helpful

pubchem.ncbi.nlm.nih.gov/rest/pug - PUG REST API
What is PubChem PUG REST API? PubChem PUG REST API is a Web interface for accessing PubChem data and services, using REST-style version of PUG (Power User Gateway). You can use URLs to access PubChem data through the interface with the following syntax: https://pubchem.ncbi.nlm.nih.g ov/rest/pug/{inp... 2023-01-22, 460🔥, 0💬

InChI and InChIKey
What are InChI and InChIKey? InChI, short for International Chemical Identifier, is a textual identifier for molecules developed by the International Union of Pure and Applied Chemistry (IUPAC) and National Institute of Standards and Technology (NIST). Examples of InChI presentation of molecules: As... 2023-01-22, 439🔥, 0💬

SMILES (Simplified Molecular Input Line Entry Specification)
What Is SMILES? SMILES (Simplified Molecular Input Line Entry Specification) is a line notation for describing the structure of a molecule using ASCII strings. The original SMILES specification was initiated by David Weininger at the USEPA Mid-Continent Ecology Division Laboratory in Duluth in the 1... 2023-01-22, 435🔥, 0💬

Molecule Presentation and Identification
Where to find FAQ (Frequently Asked Questions) on Molecule Presentation and Identification? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Molecule Presentation and Identification. Molecule Systematic Names and Common Names Brand Names vs. Gen... 2023-01-22, 408🔥, 0💬

SDF (Structural Data File)
What Is SDF? SDF (Structural Data File), also call Mol file, or Molfile, is a text file to represent one or multiple molecule Structures and their associated properties. SDF was developed and published by Molecular Design Limited (MDL) and became the the most widely used standard for importing and e... 2023-01-22, 375🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus