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Molecule FYI-1000217
Molecule Summary: ID: FYI-1000217 SMILES: C1[C@@H]2CC[C@@H]3[C@]([C@H]1O )(C2)CC[C@H]1[C@@]3(C)CCC[C@@] 1(C)C(=O)O;OC[C@H]1OC([C@H]2Oc 3ccccc3NC2=O)[C@@H]([C@H]([C@@ H]1O)O)OReceived at FYIcenter.com on: 2021-01-05
2021-08-04, 1473🔥, 1💬

"babel -i sdf -o svg" - Custom Atom Positions
How to create a molecule structure with custom atom positions? You can create a molecule structure with custom atom positions using "obabel -i sdf -o svg" command as shown below. 1. Create a SDF file for your molecule structure. Take the L-Alanin-2D.sdf file used in other tutorials as an example. 2....
2021-12-01, 1456🔥, 0💬

What Is PK R Package
What Is the PK R Package? The PK R Package is designed to perform all Non-Compartmental Analysis (NCA) calculations for Pharmacokinetic (PK) data. Functions provided in PK package: lee - Two-phase half-life estimation by linear fitting ci - Function to extract confidence interval(s) nca - Estimation...
2021-05-04, 1456🔥, 0💬

Loading JSME JavaScript in "body"
Can I load JSME JavaScript code in HTML "body" element instead of "head"? Yes, you can load JSME JavaScript code in HTML "body" element instead of "head" 1. Create a new HTML document, load-JSME-in-body.html, with JSME loaded in the "body" element: &lt;html&gt; &lt;head&gt; &lt;t...
2020-05-18, 1456🔥, 0💬

What Is Formal Charge
What is Formal Charge of an atom in a molecule? And what is the total formal charge of a molecule? The formal charge of an atom in a molecule is defined by the formula below: Fc (Formal charge) of atom = Ve - Ue - Be/2 where: Ve = number of valence electrons Ue = number of unbonded electrons Be = nu...
2020-05-29, 1446🔥, 0💬

Molecule FYI-1000210
Molecule Summary: ID: FYI-1000210 SMILES: CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3 =CC=C(C)C(NC4=NC=CC(=N4)C5=CC= CN=C5)=C3)=C2)C(F)(F)FReceived at FYIcenter.com on: 2020-12-22
2021-08-01, 1445🔥, 0💬

Molecule FYI-1003459
Molecule Summary: ID: FYI-1003459 Names: InChIKey: AZFQCTBZOPUVOW-UHFFFAOYSA-N SMILES: C[P+](c1ccccc1)(c2ccccc2)c3ccc cc3Received at FYIcenter.com on: 2023-06-20
2023-07-08, 1441🔥, 0💬

List of File Formats Supported by Open Babel
How to get a list of File Formats Supported by Open Babel? You can use "babel -L formats" command to get a list of File Formats Supported by Open Babel: fyicenter$ babel -L formats abinit -- ABINIT Output Format [Read-only] acr -- ACR format [Read-only] adf -- ADF cartesian input format [Write-only]...
2020-07-15, 1435🔥, 0💬

Molecule FYI-1000186
Molecule Summary: ID: FYI-1000186 SMILES: CCC/C=C/C=O Received at FYIcenter.com on: 2020-11-09
2020-12-02, 1432🔥, 0💬

Molecule FYI-1000184
Molecule Summary: ID: FYI-1000184 SMILES: CC(C)CC1=NC=CN=C1OC Received at FYIcenter.com on: 2020-11-09
2020-12-02, 1429🔥, 0💬

Introduction to SDF/Mol File Format
Where to find FAQ (Frequently Asked Questions) in understanding what is SDF/Mol (V2000 and V3000) file format? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team in understanding what is SDF/Mol (V2000 and V3000) file format. What Is SDF/Mol File For...
2020-04-16, 1424🔥, 0💬

Similarity Search with Open Babel
Where to find FAQ (Frequently Asked Questions) on Similarity Search with Open Babel? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Similarity Search with Open Babel. "babel -o fpt ..." Command - Similarity Search Fingerprint Types Supported i...
2020-12-22, 1414🔥, 0💬

Molecule FYI-1000209
Molecule Summary: ID: FYI-1000209 SMILES: CC1=NC(NC2=NC=C(S2)C(=O)NC3=C( Cl)C=CC=C3C)=CC(=N1)N4CCN(CCO) CC4Received at FYIcenter.com on: 2020-12-22
2021-08-01, 1402🔥, 0💬

Molecule FYI-1000179
Molecule Summary: ID: FYI-1000179 SMILES: CNC[C@H](O)C1=CC(O)=C(O)C=C1 Received at FYIcenter.com on: 2020-10-16
2020-11-11, 1397🔥, 0💬

PyMol Screen Layout
What information is displayed in each area on PyMol Screen? Once PyMol is started, you should see two windows displayed: External GUI - A Graphical User Interface window with the following areas: 1. Output message area - An area where output messages are displayed. Initially, the output area display...
2020-08-03, 1385🔥, 1💬

Molecule Online Tools
Where to find FAQ (Frequently Asked Questions) on molecule online tools? I want to use them to create and visualize molecules. Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on molecule online tools. Molecular Formula Validator and Parser Molecul...
2020-04-16, 1372🔥, 0💬

Molecule FYI-1000279
Molecule Summary: ID: FYI-1000279 SMILES: C[C@H](CCl)F Received at FYIcenter.com on: 2021-03-03
2021-04-17, 1370🔥, 0💬

Install JSME on Apache Web Server
How to install JSME on an Apache Web server? If you want to install JSME on a Web server for others to try it remotely, you can follow this tutorial to install it an an Apache Web server. 1. Follow the previous tutorial to download and install JSME on your local computer in the "./JSME_nnnn-nn-nn" s...
2020-05-18, 1369🔥, 0💬

Molecule FYI-1000971
Molecule Summary: ID: FYI-1000971 SMILES: O=C1CSC(=S)N1CCCN1CCCCCC1 Received at FYIcenter.com on: 2021-08-20
2021-11-30, 1366🔥, 0💬

molview.org - Draw/View/Search Molecules
What is molview.org? molview.org is a Website that offers MolView as an open source web application, and an online tool to draw, view and search molecules. MolView is an intuitive, Open-Source web-application to make science and education more awesome! MolView is mainly intended as web-based data vi...
2023-11-28, 1360🔥, 1💬

Molecule FYI-1000176
Molecule Summary: ID: FYI-1000176 SMILES: COCC(=O)Cc1ccc(CC#N)cc1 Received at FYIcenter.com on: 2020-10-14
2020-10-26, 1360🔥, 0💬

Molecule FYI-1004196
Molecule Summary: ID: FYI-1004196 Names: InChIKey: CZMRCDWAGMRECN-UHFFFAOYSA-N SMILES: OCC2OC(OC1(CO)OC(CO)C(O)C1O)C( O)C(O)C2OReceived at FYIcenter.com on: 2023-08-22
2023-09-10, 1353🔥, 0💬

Molecule FYI-1000199
Molecule Summary: ID: FYI-1000199 SMILES: N[C@H]1CCN(Cc2ccn3ncncc23)C[C@ H]1OReceived at FYIcenter.com on: 2020-12-07
2021-02-04, 1353🔥, 0💬

Molecule FYI-1000173
Molecule Summary: ID: FYI-1000173 SMILES: CC(C)N(C)C(=O)c2ccc(C#CCCc1ccc (Cl)cc1)cc2Received at FYIcenter.com on: 2020-10-12
2020-10-20, 1352🔥, 0💬

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