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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, 3213🔥, 0💬

Reaction FAQ
Where to find Reaction FAQ (Frequently Asked Questions)? I want to learn more about Chemical Reactions. Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team about Chemical Reactions: Introduction to Chemical Reaction What Is Chemical Reacti...
2023-10-21, 3141🔥, 1💬

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, 3123🔥, 1💬

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

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, 3094🔥, 0💬

Install Open Babel from Source Code on CentOS
How to download and instal Open Babel from source code on CentOS computers? I want to build the binary programs by myself. If you want to build the Open Babel binary programs from source code yourself, you can follow this tutorial. 1. Go to Open Babel Code Repository at https://sourceforge.net/proje. ..
2020-10-10, 3082🔥, 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, 3082🔥, 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, 3061🔥, 0💬

RXN - Reaction File Format
What Is RXN file format? RXN, stands for Reaction, is a reaction file format extended from the MDL Molfile format for molecules. RXN is also called MDL Rxnfile or RDF (Reaction Data File). There are 2 versions of RXN formats that are used by chemical software. 1. MDL RXN V2000 - Extended from the SD...
2024-08-14, 3043🔥, 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, 3029🔥, 0💬

Molecule FYI-1002030
Molecule Summary: ID: FYI-1002030 Names: METHANE; InChIKey: VNWKTOKETHGBQD-UHFFFAOYSA-N SMILES: C Received at FYIcenter.com on: 2023-01-19
2023-01-20, 3013🔥, 0💬

Molecule FYI-1002042
Molecule Summary: ID: FYI-1002042 Names: InChIKey: XRMBQHTWUBGQDN-UHFFFAOYSA-N SMILES: C=CC(=O)OCC(CC)(COCC(CC)(COC(= O)C=C)COC(=O)C=C)COC(=O)C=CReceived at FYIcenter.com on: 2023-01-22
2023-01-22, 2967🔥, 0💬

Molecule FYI-1002029
Molecule Summary: ID: FYI-1002029 Names: InChIKey: FPJCOLPRFZWPHM-UHFFFAOYSA-N SMILES: COc2cc(CC(C)C(C)C(=O)c1ccc(O)c (OC)c1)ccc2OReceived at FYIcenter.com on: 2023-01-19
2023-01-20, 2963🔥, 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, 2952🔥, 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, 2950🔥, 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, 2944🔥, 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, 2927🔥, 0💬

Molecule FYI-1000046
Molecule Summary: ID: FYI-1000046 SMILES: Received at FYIcenter.com on: 2020-05-15
2020-05-15, 2906🔥, 0💬

Molecule FYI-1002970
Molecule Summary: ID: FYI-1002970 Names: NICKEL, BIS(3,5-HEPTANEDIONATO-O,O''-2 ,2,6,6-TETRAMETHYL)-;InChIKey: PIIJAZNTPALBJL-ATMONBRVSA-L SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-] .CC(C)(C)C(=CC(=O)C(C)(C)C)[O- ].[Ni+2]Received at FYIcenter.com on: 2023-05-03
2023-05-31, 2894🔥, 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, 2891🔥, 0💬

OBF (Open Bioinformatics Foundation) Tools
Where to find molecule FAQ (Frequently Asked Questions)? I want to learn more about OBF (Open Bioinformatics Foundation) and its software tools. Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team about OBF (Open Bioinformatics Foundation)...
2023-02-04, 2890🔥, 0💬

Molecule FYI-1002044
Molecule Summary: ID: FYI-1002044 Names: InChIKey: STGXUBIZGYMIRM-UHFFFAOYSA-N SMILES: C=CC(=O)OCC1(CC)COCOC1 Received at FYIcenter.com on: 2023-01-22
2023-01-22, 2890🔥, 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, 2884🔥, 0💬

Molecule FYI-1002041
Molecule Summary: ID: FYI-1002041 Names: InChIKey: INQDDHNZXOAFFD-UHFFFAOYSA-N SMILES: C=CC(=O)OCCOCCOCCOC(=O)C=C Received at FYIcenter.com on: 2023-01-22
2023-01-22, 2883🔥, 0💬

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, 2881🔥, 0💬

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