Macs in Chemistry

Insanely great science


A Growing Collection of Reviews of Scientific Software

Aabel:-Powerful Statistics and Plotting
alvaDesc:-Molecular properties and fingerprints
Asteris:-Molecular design on the iPad
BioTransformer:-Predict Metabolites and maetbolite id
cApp:- Molecular spreadsheet
ChemBioDraw Ultra:- Chemical Drawing Package
ChemBioDraw 12 Ultra:- Updated Chemical Drawing Package
ChemBioDraw 13:- A Quick Review of ChemBioDraw 13
ChemBioDraw 14:- A quick look at ChemBioDraw 14
ChemDraw 17:- A review of the rewritten ChemDraw 17
ChemDraw for the iPad:- A Quick Review of ChemDraw on the iPad (No longer available)
ChemDoodle Web Components:- Putting Chemistry on the Web
ChemDoodle Review:- Chemical Drawing Package
ChemDoodle 5 Review:- Update to the Chemical Drawing Package
ChemDoodle 7 Review:- Update to the Chemical Drawing Package
ChemDoodle 3D:- 3D Chemical Structures
ChemDoodle 3D verion 3:- 3D Chemical Structures
ChemDoodleSpectra:- Summary of update
Chemical Drawing:- A comparison of 6 drawing packages
Chemical Keyboard:- A chemistry keyboard for iOS
ChemSpider Mobile:- iOS access to ChemSpider database
ChemSpotlight:- Chemical Spotlight and QuickLook
CheS-Mapper:- Cheminformatics data analysis and visualisation
Clipboard managers:- A comparison of clipboard managers
CypReact:- Prediction for Human Cytochrome P450 Enzymes
Data Creator:- Creates user defined data sets
DataPlot:- Scientific plotting
DataWarrior:- Cheminformatics data analysis and visualisation
Dotmatics:- Review of all Dotmatics tools
Dotmatics Reaction Workflows:- Review of Dotmatics Reaction Workflows
ElementalDB:- Structure searching on an iPad
FAME:- Prediction of sites of metabolism
FAME2:- Prediction of sites of metabolism version 2
FieldView:- Generate and compare electrostatic fields of molecules
FieldAlign:- Generate, align and calculate similarity of electrostatic fields of molecules
Findings:- Electronic Lab Notebook
Flare Version 2:- Design and Optimisation of ligand binding
Flare Python:- A Quick look at Flare and Python
ForgeV10:- Generate, align and calculate similarity of electrostatics and sterics
ForgeV10.2:- A look at multi-core support
Activity Miner:- SAR analysis tool
iBabel:- Chemical file viewing/manipulation
A Review of IMPACTS:- A look at In-silico Metabolism Prediction by Activated Cytochromes and Transition States
infiniSee:- Virtual sceening billions of compounds
Instant JChem:- Structure searchable chemical database
Instant JChem Plots:- A quick look at plotting in Instant JChem
iScienceSearch:- Search engine for science
LaTeX in Pages:- LaTeX support in pages
LibraryMCS:- Maximum common substructure clustering
LigandScout:- Drug Discovery, Pharmacophore design
LigandScout Update:- Drug Discovery, Pharmacophore design virtual screeing
Markdown Editors:- A listing of markdown editors
Marvin:- Cheminformatics, structure editing
Medicinal Chemistry Toolkit:- iOS App to aid drug discovery.
MNova NMR:- NMR Spectroscopy Application.
Moe:- Molecular modeling
Moe Update (Jan 2009):- Molecular modeling
Review of MOE (2009.10 release):- Molecular modeling
Moe Update (December 2010.10 release):- Molecular modeling
Moe Update (December 2011 release):- Molecular modeling
Moe Update (December 2012 release):- Molecular modeling
Moe Update (2015 release):- Molecular modeling
Moe Update (2018 release):- Molecular modeling
MOEsaic Review:- SAR Analysis
Molecule Viewers:- A comparison molecule viewers for iOS
Molecule Sketchers:- Chemical drawing apps for iOS
molSeeker:- Search online resources using chemical identifier
Open Source Cheminformatics Tookits:- A listing of opensource toolkits
SCM review:- A brief look at the SCM products
SeeSAR:- A drug design tool
Sentira Review:- A first look Sentira
Statplus:mac:- Statistics
Stardrop:- Cheminformatics, model building and analysis
Stardrop 5.3:- Update includes FieldAlign
StarVue:- Multimolecule and data viewer.
Vortex:- Cheminformatics data analysis and visualisation
Vortex:- Vortex does Biology
Wizard Pro:- Intuitive data analysis and statistics
Offsite backups:- A comparison of offsite backup options
In silico Bioactivity prediction:- A Comparison of bioactivity predictions
Comparing a M1 MacBook:- Comparing a M1 MacBook with Intel MacBookPro for Cheminformatics/CompChem

Compilations of data analysis tools, reference management software, GPU-accelerated applicationsand spectroscopy software

Last updated 8 December 2022