Imperial College London
Alternate

ProfessorRobertGlen

Faculty of Medicine, Department of Metabolism, Digestion and Reproduction

Chair in Computational Medicine
 
 
 
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Contact

 

+44 (0)20 7594 7912r.glen Website

 
 
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Location

 

362Sir Alexander Fleming BuildingSouth Kensington Campus

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Summary

 

Publications

Publication Type
Year
to

230 results found

Hopfinger AJ, Esposito EX, Llinas A, Glen RC, Goodman JMet al., 2009, Findings of the Challenge To Predict Aqueous Solubility, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 49, Pages: 1-5, ISSN: 1549-9596

Journal article

Jensen CH, Nerukh D, Glen RC, 2008, Controlling protein molecular dynamics: How to accelerate folding while preserving the native state, JOURNAL OF CHEMICAL PHYSICS, Vol: 129, ISSN: 0021-9606

Journal article

Llinas A, Glen RC, Goodman JM, 2008, Solubility challenge:: Can you predict solubilities of 32 molecules using a database of 100 reliable measurements?, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 48, Pages: 1289-1303, ISSN: 1549-9596

Journal article

Goodman JM, Mitchell JBO, Glen RC, 2008, CINF 73-Molecular informatics: Research and learning, 235th American-Chemical-Society National Meeting, Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727

Conference paper

Jensen CH, Nerukh D, Glen RC, 2008, Sensitivity of peptide conformational dynamics on clustering of a classical molecular dynamics trajectory, JOURNAL OF CHEMICAL PHYSICS, Vol: 128, ISSN: 0021-9606

Journal article

A-Razzak M, Glen RC, 2008, Rule Induction Applied to the Derivation of Quantitative Structure-Activity Relationships, Advanced Computer-Assisted Techniques in Drug Discovery, Pages: 319-331, ISBN: 9783527292486

Book chapter

Nerukh D, Ryabov V, Glen RC, 2008, Complex temporal patterns in molecular dynamics: A direct measure of the phase-space exploration by the trajectory at macroscopic time scales, PHYSICAL REVIEW E, Vol: 77, ISSN: 2470-0045

Journal article

Palmer DS, Llinas A, Morao I, Day GM, Goodman JM, Glen RC, Mitchell JBOet al., 2008, Predicting intrinsic aqueous solubility by a thermodynamic cycle, MOLECULAR PHARMACEUTICS, Vol: 5, Pages: 266-279, ISSN: 1543-8384

Journal article

Llinas A, Burley JC, Prior TJ, Glen RC, Goodman JMet al., 2008, Concomitant hydrate polymorphism in the precipitation of sparfloxacin from aqueous solution, CRYSTAL GROWTH & DESIGN, Vol: 8, Pages: 114-118, ISSN: 1528-7483

Journal article

Siebes A, Berthold MR, Glen RC, Feelders Aet al., 2007, CompLife 2007, 3rd International Symposium on Computational Life Science: Preface, ISSN: 0094-243X

Conference paper

Cannon EO, Amini A, Bender A, Sternberg MJE, Muggleton SH, Glen RC, Mitchell JBOet al., 2007, Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds, JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, Vol: 21, Pages: 269-280, ISSN: 0920-654X

Journal article

Llinas A, Box KJ, Burley JC, Glen RC, Goodman JMet al., 2007, A new method for the reproducible generation of polymorphs:: two forms of sulindac with very different solubilities, JOURNAL OF APPLIED CRYSTALLOGRAPHY, Vol: 40, Pages: 379-381, ISSN: 1600-5767

Journal article

Llinas A, Burley JC, Box KJ, Glen RC, Goodman JMet al., 2007, Diclofenac solubility:: Independent determination of the intrinsic solubility of three crystal forms, JOURNAL OF MEDICINAL CHEMISTRY, Vol: 50, Pages: 979-983, ISSN: 0022-2623

Journal article

Lunn JC, Kuhnle G, Mai V, Frankenfeld C, Shuker DEG, Glen RC, Goodman JM, Pollock JRA, Bingham SAet al., 2007, The effect of haem in red and processed meat on the endogenous formation of N-nitroso compounds in the upper gastrointestinal tract, CARCINOGENESIS, Vol: 28, Pages: 685-690, ISSN: 0143-3334

Journal article

Boyer S, Arnby CH, Carlsson L, Smith J, Stein V, Glen RCet al., 2007, Reaction site mapping of xenobiotic biotransformations, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 47, Pages: 583-590, ISSN: 1549-9596

Journal article

McCormick PS, Murray P, Glen RC, 2007, Cluster Assisted Mixed effect Models (CAMM) for the identification of differentially expressed genes, 3rd International Symposium on Computational Life Science, Publisher: AMER INST PHYSICS, Pages: 26-+, ISSN: 0094-243X

Conference paper

Jensen CH, Nerukh D, Glen RC, 2007, Calculating mean first passage times from Markov models of proteins, 3rd International Symposium on Computational Life Science, Publisher: AMER INST PHYSICS, Pages: 150-+, ISSN: 0094-243X

Conference paper

Palmer DS, O'Boyle NM, Glen RC, Mitchell JBOet al., 2006, Random forest models to predict aqueous solubility, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 47, Pages: 150-158, ISSN: 1549-9596

Journal article

Chesnokov YC, Nerukh D, Glen RC, 2006, Individually adaptable automatic QT detector, Pages: 337-340, ISSN: 0276-6574

The 7th Computers in Cardiology challenge presents the clinically important problem of developing and testing fully automated methods for measurement of the QT interval with clinically acceptable accuracy. For this purpose a fully automated method was developed using time-frequency methods of continuous (CWT) and fast wavelet transforms (FWT). It consists of QRS detection and P, T wave boundaries identification which is implemented using consecutive ECG data filtering with CWT and FWT transforms. The frequency of the CWT transform can be adjusted for more precise identification of the T wave boundaries for an individual patient. A representative beat with a T wave is selected from an automatically annotated signal if it is not annotated as ectopic, noise or artefact. The final score is the highest one in division three and second place in division two.

Conference paper

Glen RC, Adams SE, 2006, Similarity metrics and descriptor spaces - Which combinations to choose?, QSAR & COMBINATORIAL SCIENCE, Vol: 25, Pages: 1133-1142, ISSN: 1611-020X

Journal article

Givehchi A, Bender A, Glen RC, 2006, Analysis of activity space by fragment fingerprints, 2D descriptors, and multitarget dependent transformation of 2D descriptors, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 46, Pages: 1078-1083, ISSN: 1549-9596

Journal article

Glen RC, Bender A, Amby CH, Carlsson L, Boyer S, Smith Jet al., 2006, Erratum: Circular fingerprints: Flexible molecular descriptors with application from physical chemistry to ADME (The Investigational Drugs Journal (2006) vol. 9 (3) (199-204)), IDrugs, Vol: 9, ISSN: 1369-7056

Journal article

Glen RC, Bender A, 2006, Virtual screening: The king (quite often) has no clothes, 231st National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727

Conference paper

Glen RC, Bender A, Arnby CH, Carlsson L, Boyer S, Smith Jet al., 2006, Circular fingerprints: Flexible molecular descriptors with applications from physical chemistry to ADME, IDRUGS, Vol: 9, Pages: 199-204, ISSN: 1369-7056

Journal article

Rodgers S, Glen RC, Bender A, 2006, Characterizing bitterness: Identification of key structural features and development of a classification model, 7th International Conference on Chemical Structures, Publisher: AMER CHEMICAL SOC, Pages: 569-576, ISSN: 1549-9596

Conference paper

Berthold MR, Glen R, 2006, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics): Preface, ISBN: 9783540457671

Book

Bender A, Fergus S, Galloway WRJD, Glansclorp FG, Marsden DM, Nicholson RL, Spandl RJ, Thomas GL, Wyatt EE, Glen RC, Spring DRet al., 2006, Diversity oriented synthesis: A challenge for synthetic chemists, CHEMICAL GENOMICS: SMALL MOLECULE PROBES TO STUDY CELLULAR FUNCTION, Vol: 58, Pages: 47-+, ISSN: 0947-6075

Journal article

Bender A, Jenkins JL, Li Q, Adams SE, Cannon EO, Glen RCet al., 2006, Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR, Publisher: ELSEVIER SCIENCE BV, ISBN: 978-0-444-52822-3

Book

Mussa HY, Lary DJ, Glen RC, 2006, Building structure-property predictive models using data assimilation, 2nd International Symposium on Computational Life Sciences, Publisher: SPRINGER-VERLAG BERLIN, Pages: 64-73, ISSN: 0302-9743

Conference paper

Nerukh D, Karvounis G, Glen RC, 2006, Dynamic complexity of chaotic transitions in high-dimensional classical dynamics: Leu-Enkephalin folding, 2nd International Symposium on Computational Life Sciences, Publisher: SPRINGER-VERLAG BERLIN, Pages: 129-140, ISSN: 0302-9743

Conference paper

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