Department of Chemistry

Robert C Glen Publications (recent)

Chemogenomics Approaches to Rationalizing the Mode-of-Action of Traditional Chinese and Ayurvedic Medicines.
Mohd Fauzi F, Koutsoukas A, Lowe R, Joshi K, Fan TP, Glen RC, Bender A
2013, -. DOI: 10.1021/ci3005513

How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?
Kirchmair J, Howlett A, Peironcely JE, Murrell DS, Williamson MJ, Adams SE, Hankemeier T, van Buren L, Duchateau G, Klaffke W, Glen RC
J Chem Inf Model 2013, -. DOI: 10.1021/ci300487z

Anti-cancer Drug Development: Computational Strategies to Identify and Target Proteins Involved in Cancer Metabolism.
Mak L, Liggi S, Tan L, Kusonmano K, Rollinger JM, Koutsoukas A, Glen RC, Kirchmair J
Curr Pharm Des 2013, 19, 532-577.

Experimental validation of in silico target predictions on synergistic protein targets
Cortes-Ciriano I, Koutsoukas A, Abian O, Glen RC, Velazquez-Campoy A, Bender A
MedChemComm 2013, 4, 278-288.

Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group.
Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, Larminie C, Lynch N, Mann RK, Murray-Rust P, Piparo EL, Southan C, Steinbeck C, Wishart D, Hermjakob H, Overington J, Thornton J
Nat Rev Drug Discov 2012, 11, 730 -. DOI: 10.1038/nrd3503-c2

A Note on Naive Bayes Based on Binary Descriptors in Cheminformatics.
Townsend JA, Glen R, Mussa HY
J Chem Inf Model 2012, -. DOI: 10.1021/ci200303m

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms.
Kirchmair J, Williamson MJ, Tyzack JD, Tan L, Bond PJ, Bender A, Glen RC
J Chem Inf Model 2012, 52, 617-648. DOI: 10.1021/ci200542m

The challenges involved in modeling toxicity data in silico: a review.
Gleeson MP, Modi S, Bender A, Robinson RL, Kirchmair J, Promkatkaew M, Hannongbua S, Glen RC
Curr Pharm Des 2012, 18, 1266-1291.

Computational chemistry and cheminformatics: an essay on the future.
Glen RC
J Comput Aided Mol Des 2012, 26, 47-49. DOI: 10.1007/s10822-011-9501-6

Probability based hERG blocker classifiers
Wang Z, Mussa HY, Lowe R, Glen RC, Yan A
Molecular Informatics 2012, 31, 679-685.