Atom Biology General Molecule Reaction Tools Trial Virus

<< < 1 2 3 4 5 6 7 8 … > >>   ∑:14968  Sort:Date

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, 3650🔥, 0💬

Convert SDF to SVG using Open Babel
How to convert Convert SDF to SVG (Scalable Vector Graphics) using Open Babel? I want to see the molecule structure as a SVG file. If you want to see the molecule structure specified in a SDF file, you can convert it to a SVG (Scalable Vector Graphics) file using the "Open Babel" tool. 1. Download a... 2020-04-16, 3642🔥, 0💬

Molecule FYI-1005719
Molecule Summary: ID: FYI-1005719 Names: InChIKey: WPUIZWXOSDVQJU-UHFFFAOYNA-N SMILES: CC(=O)OCC(C1=CC=CC=C1)C(=O)OC2 CC3CCC(C2)N3CReceived at FYIcenter.com on: 2023-11-11 2023-11-18, 3638🔥, 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, 3636🔥, 0💬

Molecule FYI-1002032
Molecule Summary: ID: FYI-1002032 Names: InChIKey: BDAGIHXWWSANSR-UHFFFAOYSA-N SMILES: O=CO Received at FYIcenter.com on: 2023-01-20 2023-01-20, 3634🔥, 0💬

Molecule FYI-1003701
Molecule Summary: ID: FYI-1003701 Names: InChIKey: YAGGBZZRJWIFPD-UHFFFAOYSA-N SMILES: CC(O)(CO)CCC(O)C(C)(O)C4CCC3C2 =CC(=O)C1CC(O)C(O)CC1(C)C2CCC3 4CReceived at FYIcenter.com on: 2023-07-19 2023-07-29, 3605🔥, 0💬

Simple Pharmacokinetics Script in Python
What Is the Simple Pharmacokinetics Script in Python? Simple Pharmacokinetics Script in Python is developed by Alex Dickson and available at https://github.com/alexrd/pk . Features supported are: can implement an arbitrary sequence of doses; can specify absorption, elimination, distribution and bind... 2023-12-21, 3601🔥, 1💬

💬 2023-12-21 Ronaldo: Trying Simple Pharmacokinetics Script on Python.

Molecule FYI-1002033
Molecule Summary: ID: FYI-1002033 Names: InChIKey: TZIHFWKZFHZASV-UHFFFAOYSA-O SMILES: C/[O+]=C\\O Received at FYIcenter.com on: 2023-01-20 2023-01-20, 3588🔥, 0💬

Molecule FYI-1003356
Molecule Summary: ID: FYI-1003356 Names: InChIKey: OPBCOLZGTXBFTN-ZJLYAJKPSA-N SMILES: C[C@H](CS)C(=O)N1CCC[C@@H]1C(= O)O.C1CCC1Received at FYIcenter.com on: 2023-06-05 2023-07-01, 3586🔥, 0💬

Molecule FYI-1002043
Molecule Summary: ID: FYI-1002043 Names: InChIKey: YTKGRNLQFINUJR-UHFFFAOYSA-N SMILES: CCC(COC(C)=O)(COC(C)=O)COC(C)= OReceived at FYIcenter.com on: 2023-01-22 2023-01-22, 3553🔥, 0💬

Molecule FYI-1002067
Molecule Summary: ID: FYI-1002067 Names: InChIKey: CYVDGZYJHHYIIU-FBCYGCLPSA-N SMILES: C/C(=N\\Nc1c(Cl)cc(Cl)cc1Cl)c2 cc(Cl)ccc2OReceived at FYIcenter.com on: 2023-01-24 2023-01-25, 3552🔥, 0💬

Molecule FYI-1003679
Molecule Summary: ID: FYI-1003679 Names: InChIKey: GZUCKQPYAQFHIC-UHFFFAOYSA-N SMILES: CC(=O)OC(O)CCO Received at FYIcenter.com on: 2023-07-18 2023-07-29, 3551🔥, 0💬

Molecule FYI-1000046
Molecule Summary: ID: FYI-1000046 SMILES: Received at FYIcenter.com on: 2020-05-15 2020-05-15, 3550🔥, 0💬

Molecule FYI-1002036
Molecule Summary: ID: FYI-1002036 Names: NITROBENZENE; InChIKey: LQNUZADURLCDLV-UHFFFAOYSA-N SMILES: C1=CC=C(C=C1)[N+](=O)[O-] Received at FYIcenter.com on: 2023-01-20 2023-01-20, 3548🔥, 0💬

"babel ... -f # -l #" - Split Large Molecule File
How to split a file with a large number of molecules? You can split a file with a large number of molecules into smaller files by extracting a chunk of molecules to the output using the "-f #" and "-l #" options. The "-f #" option specifies the index of the first molecule to be extracted. The "-l #"... 2020-09-30, 3547🔥, 0💬

Stereoinformation in SDF/Mol V3000 Files
How Stereoinformation is stored in in SDF/Mol V3000 files? Similar to SDF/Mol V2000, stereoinformation can be stored in SDF/Mol V3000 files in 3 ways: 0D, 2D, and 3D. 0D: Stereoinformation in 0 dimension is defined by parity at atom lines as "CFG=n" options. 2D: Stereoinformation in 2 dimension is d... 2021-02-06, 3542🔥, 0💬

Molecule FYI-1002035
Molecule Summary: ID: FYI-1002035 Names: InChIKey: JZRWCGZRTZMZEH-UHFFFAOYSA-N SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C )CCOReceived at FYIcenter.com on: 2023-01-20 2023-01-20, 3541🔥, 0💬

Molecule FYI-1002031
Molecule Summary: ID: FYI-1002031 Names: InChIKey: QARLNMDDSQMINK-BVRKHOPBSA-N SMILES: Cc4c(Nc2nccc3cc(CN1CC[C@@H](O) C1)cnc23)cccc4c8cccc(c7nc6cc(C N5CC[C@@H](C(=O)O)C5)cc(C#N)c6 o7)c8CReceived at FYIcenter.com on: 2023-01-19 2023-01-20, 3526🔥, 0💬

JSME Molecule Editor Options
What JSME Molecule Editor Options? JSME Molecule Editor Options are parameters that can be passed to the editor through the API to change it behavior. Here are the options supported by JSME: xbutton, noxbutton - show / hide the X button (default is xbutton) rbutton, norbutton - show / hide the R but... 2020-05-18, 3496🔥, 0💬

What Is JSME JavaScript API
What is JSME JavaScript API? I want to see an example on how to use it. JSME JavaScript API is programming interface provided by JSME for your JavaScript code to interact with the JSME editor. JSME JavaScript API offers the following primary methods under the "JSApplet.JSME" class, which is provided... 2020-05-18, 3495🔥, 0💬

Molecule FYI-1014448
Molecule Summary: ID: FYI-1014448 Names: InChIKey: FNBNJFFUNDJRAY-UHFFFAOYSA-N SMILES: Cc2cc(C)c(C[P+](=O)c1ccccc1)c( C)c2Received at FYIcenter.com on: 2025-04-17 2025-04-26, 3484🔥, 0💬

"babel" vs. "obabel" Commands
What are the differences between "babel" and "obabel" commands? "babel" and "obabel" commands are two commands of the same Open Babel chemical data conversion program with slightly different command line syntaxes. You can see the syntax differences between "babel" and "obabel" commands by running th... 2021-07-19, 3477🔥, 0💬

Molecule FYI-1001166
Molecule Summary: ID: FYI-1001166 SMILES: CCOc1ccc(CC2=NNC(=S)N2CC=C)cc1 Received at FYIcenter.com on: 2022-02-11 2022-07-01, 3447🔥, 0💬

Molecule FYI-1004928
Molecule Summary: ID: FYI-1004928 Names: InChIKey: RKVAFXCYOQTGHV-HMIIVJTLSA-L SMILES: Cc8cc(C)nc(NS(=O)(=O)c7ccc([N+ ]2=Cc1cc(I)cc(I)c1O[Zn]24([OH2 +])([OH2+])Oc3c(I)cc(I)cc3C=[N +]4c6ccc(S(=O)(=O)Nc5nc(C)cc(C )n5)cc6)cc7)n8Received at FYIcenter.com on: 2023-10-01 2023-10-11, 3436🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus