<< < 4 5 6 7 8 9 10 11 12 13 14 > >>   Sort: Date

Parity and Stereo with Open Babel
Cam Open Babel support stereoinformation represented by the Parity Code and Stereo Code in SDF/Mol files? Yes. Open Babel can support stereoinformation represented by the Parity Code and Stereo Code in SDF/Mol files. But you should use Open Babel 2.4.1 and newer versions. Open Babel 2.3.1 seems to h...
2021-03-07, 401👍, 0💬

JSME Molecule Editor at FYIcenter.com
What is JSME Molecule Editor at FYIcenter.com? FYIcenter.com maintains a version of JSME Molecule Editor. You use it to create a new molecule, or edit an existing molecule. JSME, Molecule Editor in JavaScript is a free molecule editor created by Peter Ertl and Bruno Bienfait. It can be used as an in...
2021-08-13, 395👍, 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, 386👍, 0💬

What Is Stereochemistry
What Is Stereochemistry? Stereochemistry is the study of stereoisomers, which are molecules having same atoms and same connectivities, but with different spatial arrangements. Here are some stereoisomers listed in the picture below: Example of Stereoisomers   ⇒ Stereoinformation Presentation in SDF/...
2021-03-21, 386👍, 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, 386👍, 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, 383👍, 0💬

Molecule FYI-1000206
Molecule Summary: ID: FYI-1000206 SMILES: CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C =CC=CC3=N2)O)C(C)(C)CReceived at FYIcenter.com on: 2020-12-12
2021-07-19, 378👍, 0💬

Molecule FYI-1000939
Molecule Summary: ID: FYI-1000939 SMILES: N#CN1CCC(C(=O)Nc2ncc(-c3ccccc3 )s2)C1Received at FYIcenter.com on: 2021-07-20
2021-08-13, 375👍, 0💬

Molecule FYI-1000213
Molecule Summary: ID: FYI-1000213 SMILES: C1CC1 Received at FYIcenter.com on: 2020-12-23
2021-08-01, 372👍, 0💬

Molecule FYI-1000192
Molecule Summary: ID: FYI-1000192 SMILES: NS(=O)(=O)N Received at FYIcenter.com on: 2020-11-24
2020-12-22, 368👍, 0💬

PK/PD Tutorials
Where to find molecule FAQ (Frequently Asked Questions)? I want to learn more about PK/PD (Pharmacokinetic/Pharmacodynam ic).Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team about PK/PD (Pharmacokinetic/Pharmacodynam ic):PK/PD Basic Con...
2021-04-17, 361👍, 0💬

What Are PK Related Terminologies
What Is PK (Pharmacokinetic) Related Terminologies? Here are main PK (Pharmacokinetic) related terminologies as shown in this FDA picture: PK Related Terminologies Drug Concentration - Drug Concentration is usally measured as the amount of the drug in a unit of blood volumn. Cmax (maximum concentrat...
2021-11-01, 358👍, 1💬

Molecule FYI-1000169
Molecule Summary: ID: FYI-1000169 SMILES: FC=C(H)F Received at FYIcenter.com on: 2020-09-20
2020-10-10, 358👍, 0💬

Molecule FYI-1000185
Molecule Summary: ID: FYI-1000185 SMILES: CC/C=C\\CC/C=C/C=O Received at FYIcenter.com on: 2020-11-09
2020-12-02, 355👍, 0💬

"Rats" Data Frame in PK R Package
What Is the "Rats" Data Frame in PK R Package? "Rats" is an example data frame for drug concentrations measured after a single oral dose in female rats. 1. Install and load PK: &gt; install.packages("PK") &gt; library(PK) ********** PK Version 1.3-5********** 2. List data in "Rats": &gt;...
2021-05-04, 354👍, 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, 353👍, 0💬

Molecule FYI-1000957
Molecule Summary: ID: FYI-1000957 SMILES: CC(C)Cc1ccc(C[NH2+]C(C)CC(N)=O )cc1Received at FYIcenter.com on: 2021-08-11
2021-08-13, 352👍, 0💬

auc() Function in PK R Package
How to use the auc() function in PK R Package? auc() function in the PK R package provides you estimation of confidence intervals for the area under the concentration versus time curve in complete and incomplete data designs. Example from "Nedelman J. R., Gibiansky E. and Lau D. T. W. (1995). Applyi...
2021-05-04, 349👍, 0💬

Molecule FYI-1000287
Molecule Summary: ID: FYI-1000287 SMILES: CCC(C) Received at FYIcenter.com on: 2021-03-07
2021-08-13, 348👍, 0💬

Exact Mass of Molecule
How to calulate the exact mass of molecule from a formula? To help you calculating the exact mass for a given molecular formula, FYIcenter.com has designed this online tool. All you need to do is to enter a molecular formula, and click the "Go" button below. The exact mass of molecule will be presen...
2021-07-25, 348👍, 0💬

Molecule FYI-1000215
Molecule Summary: ID: FYI-1000215 SMILES: C(CC[C@@H](C(=O)O)NC(=O)C1=CC= C(NCC2=CN=C3N=C(N)NC(=O)C3=N2) C=C1)(=O)OReceived at FYIcenter.com on: 2020-12-29
2021-08-01, 344👍, 0💬

Molecular Weight Calculator
How to calulate the molecular weight from a formula? To help you calculating the molecular weight for a given molecular formula, FYIcenter.com has designed this online tool. All you need to do is to enter a molecular formula, and click the "Go" button below. The molecular weight will be presented in...
2021-07-25, 343👍, 0💬

Molecule FYI-1000189
Molecule Summary: ID: FYI-1000189 SMILES: Cc1ccc(C(=O)OCC(=O)Nc2ccccc2)c c1CReceived at FYIcenter.com on: 2020-11-11
2020-12-15, 343👍, 0💬

Molecule FYI-1000181
Molecule Summary: ID: FYI-1000181 SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2 )C3=CC=NC=C3)C4=CC=C(C=C4)FReceived at FYIcenter.com on: 2020-10-27
2020-11-22, 343👍, 0💬

<< < 4 5 6 7 8 9 10 11 12 13 14 > >>   Sort: Date