Featured

Chemical Structure

Software

VANTAGE PDMS

221

AVEVA Solutions Limited

free

114

ChemAxon Ltd.

JChem is a suite of integrated programs and toolkits for many cheminformatics tasks...

include chemical database engines, chemical structure editor and visualization

free

United States Environmental Protection Agency

TEST allows a user to estimate toxicity without requiring any external programs...

The Toxicity Estimation Software Tool (TEST) was developed

ICS Triplex Technology

ACD Labs

free

Quadtech Associates Inc

Mass Spec Calculator Pro is a free Windows program to assist in the interpretation of unknown GC/MS spectra...

MS spectra. Chemical structures can...searched directly. A chemical structure and potential

Inte:Ligand GmbH

Compounds are built by combining user-defined fragments according to state-of-the-art chemical knowledge...

ilib diverse is a flexible tool for creating libraries of drug-like organic molecules

free

Chemical Crystallography Laboratory, University of Oxford

Constraints (List 12), restraints (List 16) and manually omitted reflections (List 28)...

Constraints (List 12), restraints (List 16) and manually omitted reflections (List 28) are appended

PortaNova

UpSol NMRPrediction provides the chemist with the automatic prediction of 13C NMR and 1H...

UpSol NMRPrediction provides the chemist with the automatic prediction of 13C NMR and 1H

Aha-soft

Create a great scientific software faster with this set of scientific icons...

Create slick and professional scientific and engineering applications