PubChem3D: conformer ensemble accuracy

Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures

(2012) Paul C. D. Hawkins et al.   Journal of Chemical Information and Modeling

Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis

(2012) Sunghwan Kim et al.   Journal of Cheminformatics

MMDB: 3D structures and macromolecular interactions

(2011) T. Madej et al.   NUCLEIC ACIDS RESEARCH

PubChem3D: Conformer generation

(2011) Evan E Bolton et al.   Journal of Cheminformatics

PubChem3D: a new resource for scientists

(2011) Evan E Bolton et al.   Journal of Cheminformatics

PubChem3D: Similar conformers

(2011) Evan E Bolton et al.   Journal of Cheminformatics

PubChem3D: Diversity of shape

(2011) Evan E Bolton et al.   Journal of Cheminformatics

PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

(2011) Sunghwan Kim et al.   Journal of Cheminformatics

PubChem3D: Biologically relevant 3-D similarity

(2011) Sunghwan Kim et al.   Journal of Cheminformatics

Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

(2010) Paul C. D. Hawkins et al.   Journal of Chemical Information and Modeling

Database resources of the National Center for Biotechnology Information

(2010) E. W. Sayers et al.   NUCLEIC ACIDS RESEARCH

An overview of the PubChem BioAssay resource

(2009) Yanli Wang et al.   NUCLEIC ACIDS RESEARCH

PubChem: a public information system for analyzing bioactivities of small molecules

(2009) Y. Wang et al.   NUCLEIC ACIDS RESEARCH