Journal of Cheminformatics is an open-access journal publishing original peer-reviewed research »Journal of Cheminformatics is an open-access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modeling.
Software for Chemistry & Materials, they care about making computational chemistry work for you »Software for Chemistry & Materials, they care about making computational chemistry work for you easy & powerful computational chemistry software to advance your chemistry or materials science research.
Solving arson cases with AI and thermodynamics (COSMO-RS) 
Graphical user interface for AMS2020 | live Q&A 
A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19 
New in AMS2020: QM/MM, G0W0, ML Potentials | live Q&A 
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning 
PhD Position: method development 1D and 2D optoelectronics 
LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates 
AMS2020 released: ML Potentials, G0W0, QM/MM, multiple COSMO-RS species 
Memory-assisted reinforcement learning for diverse molecular de novo design 
Too sweet: cheminformatics for deglycosylation in natural products