A Growing Collection of Reviews of Scientific Software. There are also compilations of data analysis tools, spectroscopy apps and reference management tools.
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 |