Resources and Tools

Cheminformatics Tutorials - Herong's Tutorial Examples

∟Resources and Tools

This section provides a list of resources and tools for molecule study.

Resources and tools useful for molecule study:

ChEMBL - Free Online databases with Web services.

URL: ebi.ac.uk/chembl/.
Provider: EMBL (European Molecular Biology Laboratory).
About: It brings together chemical, bioactivity and genomic data to aid the translation of genomic information into effective new drugs.
Notes: 12,482 Targets; 1,879,206 Compounds; 15,504,603 Activities; 72,271 Publications.

HGNC - HUGO Gene Nomenclature Committee.

URL: genenames.org.
About: The HGNC is responsible for approving unique symbols and names for human loci, including protein coding genes, ncRNA genes and pseudogenes, to allow unambiguous scientific communication. All approved gene symbols are accessible by the Web interface.

HPM - Human Proteome Map.

URL: humanproteomemap.org.
About: The Human Proteome Map (HPM) portal is an interactive resource to the scientific community by integrating the massive peptide sequencing result from the draft map of the human proteome project.

Molecular formats converter - URL: webqc.org/molecularformatsconverter.php. Provided by WebQC.Org.

Online SMILES Translator and Structure File Generator - URL: cactus.nci.nih.gov/translate/. Provided by National Cancer Institution of US government.

PlayMolecule - URL: https://playmolecule.com. A Web based platform hosting multiple free applications for drug discovery: Deepsite Proteinprepare, Bindscope Parameterize, Systembuilder Plexview, Simplerun Kdeep, Ligdream Ligann, Pathwaymap Deltadelta, Acedock Skeledock, Membranebuilder Crypticscout, Aceprep Glimpse, Generative Kdeeptrainer, Isca Isba, Datacenter.