PubChem3D: a new resource for scientists
Background PubChem is an open repository for small molecules and their experimental
biological activity. PubChem integrates and provides search, retrieval, visualization …
biological activity. PubChem integrates and provides search, retrieval, visualization …
PubChem3D: conformer generation
Background PubChem, an open archive for the biological activities of small molecules,
provides search and analysis tools to assist users in locating desired information. Many of …
provides search and analysis tools to assist users in locating desired information. Many of …
Exploring chemical information in PubChem
S Kim - Current protocols, 2021 - Wiley Online Library
Abstract PubChem (https://pubchem. ncbi. nlm. nih. gov) is a public chemical database that
serves scientific communities as well as the general public. This database collects chemical …
serves scientific communities as well as the general public. This database collects chemical …
PubChem chemical structure standardization
Background PubChem is a chemical information repository, consisting of three primary
databases: Substance, Compound, and BioAssay. When individual data contributors submit …
databases: Substance, Compound, and BioAssay. When individual data contributors submit …
[HTML][HTML] PubChem protein, gene, pathway, and taxonomy data collections: bridging biology and chemistry through target-centric views of PubChem data
Abstract PubChem (https://pubchem. ncbi. nlm. nih. gov) is a public chemical database at the
US National Institutes of Health. Visited by millions of users every month, it plays a role as a …
US National Institutes of Health. Visited by millions of users every month, it plays a role as a …
Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds
Background Since 2004 public cheminformatic databases and their collective functionality
for exploring relationships between compounds, protein sequences, literature and assay …
for exploring relationships between compounds, protein sequences, literature and assay …
A searchable map of PubChem
R Deursen, LC Blum, JL Reymond - Journal of chemical …, 2010 - ACS Publications
The database PubChem was classified using 42 integer value descriptors of molecular
structure, here called molecular quantum numbers (MQNs), which count atoms and bond …
structure, here called molecular quantum numbers (MQNs), which count atoms and bond …
Browsable structure-activity datasets
MA Johnson - Advances in Molecular Similarity, 1998 - books.google.com
Ever-larger structure—activity datasets are motivating the need for ways of rapidly finding
and validating interesting structure—activity patterns. Patterns among chemical and …
and validating interesting structure—activity patterns. Patterns among chemical and …
One-dimensional molecular representations and similarity calculations: methodology and validation
Drug discovery research is increasingly dedicated to biological screening on a massive
scale, which seems to imply a basic rejection of many computer-assisted techniques …
scale, which seems to imply a basic rejection of many computer-assisted techniques …
Bona Fide Predictions of Protein Secondary Structure Using Transparent Analyses of Multiple Sequence Alignments
By any measure, the 1990s is the decade of the genome. Sequences of the chromosomes of
two eubacteria (Haemophilus influenzae and Mycoplasma genitalium), 1, 2 one …
two eubacteria (Haemophilus influenzae and Mycoplasma genitalium), 1, 2 one …