pubchem cheminformatics chemoinformatics pubchem classification browser chemical information chemical education machine learning database pug-rest online chemistry course (olcc) acs meeting computational toxicology drug discovery chemical information literacy laboratory chemical safety summary (lcss) big data pug-view cheminformatics olcc public database bioactivity data american chemical society (acs) structure search data science collaborative teaching chemical structure search inchi structure standardization periodic table molecular fingerprint chembl american chemical society bindingdb public chemical database programmatic access chemical database olcc chemidplus chemical carcinogenesis research information syste ccris genetic toxicology data bank gene-tox livertox lactmed hsdb hazardous substances data bank toxnet toxicology chemistry smiles chemical informatics florida orlando libretexts tox21 support vector machine random forest neural network naive bayes k-nearest neighbors k-means clustering decision tree patent view high-throughput screening (hts) pdbbind lab safety cambridge structural database (csd) protein data bank (pdb) big data chemistry chemical hazards and safety application programming interface (api) rocs rapid overlay of chemical structures bioassay covid-19 misinformation misinformation chemical synonym chemical name-structure association conspiracy conspiracy theory coronavirus covid-19 information literacy artificial intelligence toxicity high throughput screening (hts) middle atlantic regional meeting (marm) lcss cheminfromatics mathematica r python oer open education resource ccce committee on computers in chemical education divched national meeting idea network of biomedical research excellence inbre arkansas-inbre open data ascct chemical element jupyter bioactivity clinical trial epa fda assay ksea drug target drug development chemical hazards chemical safety chemical health quality control mesomer resonance tautomer chemical name synonym filtering text mining data mining virtual screening tanimoto molecular similarity hashed fingerprints structural keys molecular fingerprints inchikey iupac international chemical identifier simplified molecular-input line-entry system pubchem element pubchem sketcher superstructure search substructure search similarity search identity search pubchem search cinf13 data provenance chemical qr code padel ncgc national institutes of health research festival retinoid x receptor alpha (rxra) rxra retinoid x receptor alpha drugbank fda orange book nextmove software scripdb ibm surechembl patent iuphar/bps guide to pharmacology chebml congreve's rule of 3 lipinski's rule of 5 pubchem target page chemical biology natural product hazard communication globally harmonized system (ghs) public data biennial conference on chemical education (bcce) structure-activity relationship (sar) structure clustering ncbi minute ncbi webinar entrez-utilities (e-utilities) power user gateway (pug) pug-soap
Mehr anzeigen