A Growing Collection of Reviews of Scientific Software. There are also compilations of data analysis tools, spectroscopy apps and reference management tools.
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Cheminformatics and CompChem on Apple Silicon We all know that this new architecture is blazingly fast for video editors but what about us chemists?
All Reviews
Application | Description |
ActivityMiner | Explore Structure-Activity-Relationships |
alvaDesc | Molecular property calculator |
Bioactivity Prediction | Comparing bioactivity prediction tools |
BioTransformer | A computational tool for small molecule metabolism prediction |
cApp | Molecular spreadsheet |
ChemBioDraw Ultra | A Chemical drawing application |
ChemDraw 17 | A Review of ChemDraw 17 |
ChemDoodle Review | A Chemical drawing package |
ChemDoodle 5 Review | Chemical drawing and more |
ChemDoodle 7 Review | Update to very popular drawing package |
Cheminformatics | Open Source Cheminformatics toolkits |
Clipboard-2-SMILES | Chemical structure conversion done on the clipboard. |
CypReact | Cyp mediated metabolites prediction |
DataGraph | 2D plotting and data analysis |
DataWarrior | Chemistry data analysis tool |
Dotmatics Reaction Workflows | Reaction workflow tool |
FAME | Prediction of sites of metabolism |
FAME2 | Prediction of sites of metabolism |
FieldView | Molecule editor and field viewer |
FieldAlign | Comparison of molecular fields |
ForgeV10 | Virtual screen using field based pharmacophores |
ForgeV10.2 | Multiprocessor support |
IMPACTS | Prediction of sites of metabolism |
infiniSee | Searching ultra large chemical spaces |
InstantJChem | Searchable Chemistry database |
LibraryMCS | MCS based clustering |
LigandScout | Drug Discovery, Pharmacophore design |
Marvin | Chemical drawing and more |
moe (2009) | A review of the 2009 release |
moe 2009.10 | A review of the update |
moe 2010.10 | A review of the update |
moe 2011.10 | A review of the latest version |
moe 2012.10 | A review of the latest update |
moe 2015.10 | A review of the latest update |
moe 2018.10 | A review of the latest update |
MOEsaic | A Review of MOEsaic |
Python Data Science Libraries | Open Source Python Data Science Libraries |
Scientific Computing and Modelling Software | A brief look at SCM software |
Rowan | A web-native quantum chemistry package |
SeeSAR | Ligand design tool |
Statsplus:mac | Turn Excel into Stats tool |
Stardrop | A review of Stardrop |
Stardrop Update | A review of 2013 update |
Vortex | Vortex does Biology |
Vortex | Cheminformatics data analysis and visualisation |
WizardPro | A quick look at Wizard Pro |