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Protocols

ChemDraw specifications

Information


Unique identifier OMICS_04971
Name ChemDraw
Software type Package/Module
Interface Command line interface
Restrictions to use License purchase required
Operating system Mac OS, Windows
License Commercial
Computer skills Advanced
Stability Stable
Maintained Yes

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No version available

ChemDraw citations

 (407)
library_books

Nutrient depletion induced production of tri acylated glycerophospholipids in Acinetobacter radioresistens

2018
Sci Rep
PMCID: 5945596
PMID: 29748546
DOI: 10.1038/s41598-018-25869-9

[…] export averaged mass spectra in text format. Mass spectra were also analyzed by Mass++ 2.7.4 software. The MS figures were generated by Mass++ 2.7.4. Chemical structures were drawn using PerkinElmer ChemDraw prime 15.101.144. […]

call_split

Tachyplesin Causes Membrane Instability That Kills Multidrug Resistant Bacteria by Inhibiting the 3 Ketoacyl Carrier Protein Reductase FabG

2018
Front Microbiol
PMCID: 5938390
PMID: 29765362
DOI: 10.3389/fmicb.2018.00825
call_split See protocol

[…] Tachyplesin III was processed with Chemdraw 11.0 according to the structure of tachyplesin I (PDB code 2RTV) and docked to the active site of FabG from E. coli (PDB code 1Q7B) or Staphylococcus aureus (PDB code 3SJ7) with AutoDock4 usi […]

library_books

A Comparison of the Antibacterial and Antifungal Activities of Thiosulfinate Analogues of Allicin

2018
Sci Rep
PMCID: 5928221
PMID: 29712980
DOI: 10.1038/s41598-018-25154-9

[…] cation of the relative membrane permeabilities the calculated logP values, also known as log Kow for the log of the partition coefficient between octanol and water, were calculated using the software Chemdraw Professional 15.1. DMTS was the most hydrophilic compound tested (log P = −0.21) while DBTS was the most hydrophobic (log P = 3.43). DBTS was immiscible with water, methanol and ethanol and d […]

library_books

Novel Type III Polyketide Synthases Biosynthesize Methylated Polyketides in Mycobacterium marinum

2018
Sci Rep
PMCID: 5916927
PMID: 29695799
DOI: 10.1038/s41598-018-24980-1

[…] Ligand/product binding pockets and respective cavity volumes of homology models of type III PKSs were identified using Biovia Discovery Studio 4.5.Predicted-ligand/product library was generated using ChemDraw software and ligands/products were prepared in Biovia Discovery Studio 4.5 along with protein preparation for protein-ligand/product docking studies. Protein ligand/product docking was done u […]

library_books

Multicomponent reactions provide key molecules for secret communication

2018
Nat Commun
PMCID: 5897361
PMID: 29651145
DOI: 10.1038/s41467-018-03784-x

[…] mmand. After selecting the print command a SMILES code for the target molecule and all precursor components (on basis of the list of components) are displayed. The SIMLES code can be copied, e.g., to ChemDraw® (insert with Alt + Crtl + P) for visualization of the molecular key structure (also refer to ). […]

call_split

Scaffold hopping from (5 hydroxymethyl) isophthalates to multisubstituted pyrimidines diminishes binding affinity to the C1 domain of protein kinase C

2018
PLoS One
PMCID: 5895059
PMID: 29641588
DOI: 10.1371/journal.pone.0195668
call_split See protocol

[…] ters, Milford, MA, USA) via an ESI ion source in positive mode. High resolution mass (HRMS-ESI) data was reported for the molecular ions [M+H]+. The clogP values of the compounds were calculated with ChemDraw Professional 16.0.0.82 software (PerkinElmer Informatics, Waltham, MA, USA). […]


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