Physical properties

Antimicrobial Compounds DatabaseMalloci G., Vargiu A. V., Serra G., Bosin A., Ruggerone P., Ceccarelli M., A database of force-field parameters, dynamics, and properties of antimicrobial compounds. Molecules, 2015, 20, 13997-14021. Abstract
Diatomic Molecular Spectroscopy DatabaseLiu X., Truppe S., Meijer G., Pérez‑Ríos J., The diatomic molecular spectroscopy database. Journal of Cheminformatics, 2020, 12, Article No 31. Abstract
GMLDvan der Spoel D., van Maaren P. J., Caleman C., GROMACS molecule & liquid database. Bioinformatics, 2012, 28, 752-753. Abstract
IUPAC-NIST Solubility DatabaseReferences
MoNAProvider: University of California Davis
NIST Chemistry WebBookLinstrom P. J., Mallard W. G., The NIST Chemistry WebBook: A chemical data resource on the Internet. Journal of Chemical and Engineering Data, 2001, 46, 1059-1063. Abstract
NMRShiftDBSteinbeck C., Kuhn S., NMRShiftDB – compound identification and structure elucidation support through a free community-built web database. Phytochemistry, 2004, 65, 2711–2717. Abstract
NP-MRDWishart D. S., Sayeeda Z., Budinski Z., Guo A., Lee B. L., Berjanskii M., Rout M., Peters H., Dizon R., Mah R., Torres-Calzada C., Hiebert-Giesbrecht M., Varshavi D., Varshavi D., Oler E., Allen D., Cao X., Gautam V., Maras A., Poynton E. F., Tavangar P., Yang V., van Santen J. A., Ghosh R., Sarma S., Knutson E., Sullivan V., Jystad A. M., Renslow R., Sumner L. W., Linington R. G., Cort J. R., NP-MRD: the Natural Products Magnetic Resonance Database. Nucleic Acids Research, 2022, 50, D665–D677. Abstract
Open Data FitHibbert D. B., Thordarson P., The death of the Job plot, transparency, open science and online tools, uncertainty estimation methods and other developments in supramolecular chemistry data analysis. Chemical Communications, 2016, 52, 12792-12805. Abstract
OSDBChalk S. J., The Open Spectral Database: an open platform for sharing and searching spectral data. Journal of Cheminformatics, 2016, 8, Article No 55. Abstract
PerMMLomize A. L., Hage J. M., Schnitzer K., Golobokov K., LaFaive M. B., Forsyth A. C., Pogozheva I. D., PerMM: a web tool and database for analysis of passive membrane permeability and translocation pathways of bioactive molecules. Journal of Chemical Information and Modeling, 2019, 59, 3094-3099. Abstract
Pitt Quantum RepositoryProvider: University of Pittsburgh
SDBSProvider: National Institute of Advanced Industrial Science and Technology (AIST)
SistematXCosta R. P. O., Lucena L. F., Silva L. M. A., Zocolo G. J., Herrera-Acevedo C., Scotti L., Da-Costa F. B., Ionov N., Poroikov V., Muratov E. N., Scotti M. T., The SistematX web portal of natural products: an update. Journal of Chemical Information and Modeling, 2021, 61, 2516–2522. Abstract