Atom Biology General Molecule Reaction Tools Trial Virus

<< < … 12 13 14 15 16 17 18 19 20 21 22 … > >>   ∑:7660  Sort:Date

Molecule FYI-1000964
Molecule Summary: ID: FYI-1000964 SMILES: O=C1CSC(=S)N1CCCN(C)C Received at FYIcenter.com on: 2021-08-20 2021-11-13, 780🔥, 0💬

"obgrep" - Search Molecules using SMARTS
What Is "obgrep" command? How to use it to Search Molecules using SMARTS strings? "obgrep" command is a command line tool provided in the Open Babel package that allows you to Search Molecules using SMARTS strings. "obgrep" command does the same job as the "babel ... -s ..." with more options. Here ... 2020-11-11, 780🔥, 0💬

Molecule FYI-1000214
Molecule Summary: ID: FYI-1000214 SMILES: CCOC(=O)C(C)(C)C=O Received at FYIcenter.com on: 2020-12-23 2021-08-01, 778🔥, 0💬

Molecule FYI-1001829
Molecule Summary: ID: FYI-1001829 SMILES: F/C=C/F Received at FYIcenter.com on: 2022-12-19 2023-01-06, 775🔥, 0💬

"obchiral" - Print Chirality Information
What Is "obchiral" command? How to use it to Print Chirality Information? "obchiral" command is a command line tool provided in the Open Babel package that allows you to calculate and print molecule chirality information. Here is the user manual of the "obchiral" command. NAME obchiral -- print mole... 2020-11-22, 773🔥, 0💬

Single Dose AUC Calculation
What Is Single Dose AUC Calculation? Single Dose AUC Calculation for Non-Compartmental Analysis (NCA) is relatively simple. There are 4 commonly used methods: Trapezoidal, Log-linear trapezoidal, Lagrange polynomial, and Purves, as described in "SAS Programming to Calculate AUC in Pharmacokinetic St... 2022-12-14, 771🔥, 0💬

Molecule FYI-1000993
Molecule Summary: ID: FYI-1000993 SMILES: COC1=CC=C(C=C1)N2C=CN=C2 Received at FYIcenter.com on: 2021-09-10 2021-12-28, 770🔥, 0💬

Molecule FYI-1002585
Molecule Summary: ID: FYI-1002585 Names: InChIKey: YTPCRCJHZLRLGU-SFHVURJKSA-N SMILES: O=C3c1ccccc1[C@@H](Nc2cc(Cl)cc (Cl)c2)N3c4cccnc4Received at FYIcenter.com on: 2023-04-10 2023-04-17, 769🔥, 0💬

"babel ... -o svg" - Generating SVG Pictures
Where to find FAQ (Frequently Asked Questions) on using Open Babel to generate SVG Pictures from molecule input data? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on using Open Babel to generate SVG Pictures from molecule input data. "babel -o ... 2021-07-19, 769🔥, 0💬

"obrotamer" - Generate Random Rotational Isomers
What Is "obrotamer" command? How to use it to Generate Random Rotational Isomers for a given molecule? "obrotamer" command is a command line tool provided in the Open Babel package that allows you to Generate Random Rotational Isomers for a given molecule. Here is the user manual of the "obrotamer" ... 2020-10-26, 769🔥, 0💬

Molecule FYI-1002226
Molecule Summary: ID: FYI-1002226 Names: InChIKey: RJNJNLPEYZFHEL-HKWRFOASSA-N SMILES: CC5=C(C(N)=O)C(c1ccccc1)=C(C=c 3c(=O)[nH]c4ccc(F)c(c2ccccc2)c 34)C5Received at FYIcenter.com on: 2023-02-05 2023-02-28, 768🔥, 0💬

Molecule FYI-1002093
Molecule Summary: ID: FYI-1002093 Names: InChIKey: APJYDQYYACXCRM-UHFFFAOYSA-N SMILES: NCCc1c[nH]c2ccccc12 Received at FYIcenter.com on: 2023-01-27 2023-02-19, 768🔥, 0💬

Molecule FYI-1002060
Molecule Summary: ID: FYI-1002060 Names: IMATINIB; InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C =C2)CN3CCN(CC3)C)NC4=NC=CC(=N4 )C5=CN=CC=C5Received at FYIcenter.com on: 2023-01-24 2023-02-05, 768🔥, 0💬

Molecule FYI-1003101
Molecule Summary: ID: FYI-1003101 Names: InChIKey: MTBZCEGVUKTPLQ-UHFFFAOYSA-N SMILES: NC(=O)c3ccc(c2cc(c1cc(F)c(O)c( F)c1)cnc2N)c(F)c3Received at FYIcenter.com on: 2023-05-10 2023-06-12, 767🔥, 0💬

Molecule FYI-1001005
Molecule Summary: ID: FYI-1001005 SMILES: C12CCC(C)3C(C(C)CCC(=O)O)CCC3C 1C(I)CC(C)1CCCCC12CReceived at FYIcenter.com on: 2021-09-27 2022-04-02, 767🔥, 0💬

Stereochemistry with JSME (Molecule Editor in JavaScript)
Can JSME (Molecule Editor in JavaScript) be used to do Stereochemistry? Yes. JSME (Molecule Editor in JavaScript) can be used to stereochemistry. You can create a molecule structure with wedges and hatches provide stereoinformation on bonds. Here is an example with 1 wedge and 1 hatch: Molecule with... 2021-02-06, 767🔥, 0💬

peter-ertl.com/jsme - JSME (JavaScript Molecule Editor)
What IS JSME, Molecule Editor in JavaScript? JSME, Molecule Editor in JavaScript is a free molecule editor created by Peter Ertl and Bruno Bienfait. It can be used as an integrated online Web tool. JSME features are described in its documentation as: "JSME supports drawing and editing of molecules a... 2020-05-29, 767🔥, 0💬

Molecule FYI-1001832
Molecule Summary: ID: FYI-1001832 SMILES: COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc 1)S(=O)(=O)[NH2+]C(=O)NC1CCCCC 1Received at FYIcenter.com on: 2022-12-21 2023-01-06, 766🔥, 0💬

Molecule FYI-1000341
Molecule Summary: ID: FYI-1000341 SMILES: CC1=C(C=C(C=C1)N)C(=O)N[C@H](C )C2=CC=CC3=CC=CC=C32Received at FYIcenter.com on: 2021-04-06 2022-07-26, 766🔥, 0💬

Molecule FYI-1000978
Molecule Summary: ID: FYI-1000978 SMILES: S=C1S/C(=C/c2ccccc2)C(=O)N1CCN (CC)CCReceived at FYIcenter.com on: 2021-08-20 2021-12-28, 766🔥, 0💬

Molecule FYI-1002066
Molecule Summary: ID: FYI-1002066 Names: InChIKey: QXAXLSMKNHJDNM-UHFFFAOYSA-N SMILES: CN(C)/C(N)=N/CCCC(NC(=O)OCC3c1 ccccc1c2ccccc23)C(=O)OReceived at FYIcenter.com on: 2023-01-24 2023-01-25, 765🔥, 0💬

Molecule FYI-1002878
Molecule Summary: ID: FYI-1002878 Names: InChIKey: AFDXLRNFOWQUSJ-UHFFFAOYSA-O SMILES: COC(=O)c1cc(S(N)(=O)=O)c(Cl)cc 1[SH+]Cc2ccccc2Received at FYIcenter.com on: 2023-04-25 2023-05-09, 764🔥, 0💬

Molecule FYI-1000995
Molecule Summary: ID: FYI-1000995 SMILES: Cc1cccc(-c2ccccc2-c2ccc3ncc(C( =O)O)n3c2)n1Received at FYIcenter.com on: 2021-09-14 2021-12-28, 764🔥, 0💬

"babel -i fs ..." - Fingerprint Index Based Search
How to perform a Fingerprint Index Based Search with the "babel" command? You can perform a Fingerprint Index Based Search with the "babel" command using the "-i fs" option to specify the fingerprint index file as the input. For more information, read the help document on fastsearch index file forma... 2020-08-25, 764🔥, 0💬

<< < … 12 13 14 15 16 17 18 19 20 21 22 … > >>   ∑:7660  Sort:Date

Atom Biology General Molecule Reaction Tools Trial Virus