Web-based 3D-visualization of the DrugBank chemical space

[1] Pearlman RS(1998)Novel software tools for chemical diversity Persp Drug Discov Des 9–11 339-353

[2] Smith KM(2001)Chemography: the art of navigating in chemical space J Comb Chem 3 157-166

[3] Oprea TI(2003)MolSpace: a computer desktop tool for visualization of massive molecular data J Mol Graph Model 21 333-339

[4] Gottfries J(2004)Mapping chemical space using molecular descriptors and chemical genetics: deacetylase inhibitors Comb Chem High Throughput Screen 7 669-676

[5] Takahashi Y(2007)Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches Drug Discov Today 12 225-233

[6] Konji M(2007)A Similarity-based data-fusion approach to the visual characterization and comparison of compound databases Chem Biol Drug Des 70 393-412

[7] Fujishima S(2008)Visualization of the chemical space in drug discovery Curr Comput-Aided Drug Des 4 322-333

[8] Haggarty SJ(2009)Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs J Chem Inf Model 49 477-491

[9] Clemons PF(2009)Novel chemical space exploration via natural products J Med Chem 52 1953-1962

[10] Wong JC(2009)Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository J Chem Inf Model 49 1010-1024

[1] Pearlman RS(1998)Novel software tools for chemical diversity Persp Drug Discov Des 9–11 339-353

[2] Smith KM(2001)Chemography: the art of navigating in chemical space J Comb Chem 3 157-166

[3] Oprea TI(2003)MolSpace: a computer desktop tool for visualization of massive molecular data J Mol Graph Model 21 333-339

[4] Gottfries J(2004)Mapping chemical space using molecular descriptors and chemical genetics: deacetylase inhibitors Comb Chem High Throughput Screen 7 669-676

[5] Takahashi Y(2007)Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches Drug Discov Today 12 225-233

[6] Konji M(2007)A Similarity-based data-fusion approach to the visual characterization and comparison of compound databases Chem Biol Drug Des 70 393-412

[7] Fujishima S(2008)Visualization of the chemical space in drug discovery Curr Comput-Aided Drug Des 4 322-333

[8] Haggarty SJ(2009)Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs J Chem Inf Model 49 477-491

[9] Clemons PF(2009)Novel chemical space exploration via natural products J Med Chem 52 1953-1962

[10] Wong JC(2009)Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository J Chem Inf Model 49 1010-1024