Robert C. Glen - researchr alias

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2010

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and BioclipseLars Carlsson, Ola Spjuth, Samuel Adams, Robert C. Glen, Scott Boyer. bmcbi, 11:362, 2010. [doi]

Memory-efficient fully coupled filtering approach for observational model buildingHamse Y. Mussa, Robert C. Glen. tnn, 21(4):680-686, 2010. [doi]

2006

Computational Life Sciences II, Second International Symposium, CompLife 2006, Cambridge, UK, September 27-29, 2006, ProceedingsMichael R. Berthold, Robert C. Glen, Ingrid Fischer, editors, Volume 4216 of Lecture Notes in Computer Science, Springer, 2006.

Analysis of Activity Space by Fragment Fingerprints, 2D Descriptors, and Multitarget Dependent Transformation of 2D DescriptorsAlireza Givehchi, Andreas Bender, Robert C. Glen. jcisd, 46(3):1078-1083, 2006. [doi]

Building Structure-Property Predictive Models Using Data AssimilationHamse Y. Mussa, David J. Lary, Robert C. Glen. complife 2006: 64-73 [doi]

Dynamic Complexity of Chaotic Transitions in High-Dimensional Classical Dynamics: Leu-Enkephalin FoldingDmitry Nerukh, George Karvounis, Robert C. Glen. complife 2006: 129-140 [doi]

Characterizing Bitterness: Identification of Key Structural Features and Development of a Classification ModelSarah Rodgers, Robert C. Glen, Andreas Bender. jcisd, 46(2):569-576, 2006. [doi]

2005

Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP)Andreas Bender, Andreas Klamt, Karin Wichmann, Michael Thormann, Robert C. Glen. complife 2005: 175-185 [doi]

A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of SophisticationAndreas Bender, Robert C. Glen. jcisd, 45(5):1369-1375, 2005. [doi]

Computational Life Sciences, First International Symposium, CompLife 2005, Konstanz, Germany, September 25-27, 2005, ProceedingsMichael R. Berthold, Robert C. Glen, Kay Diederichs, Oliver Kohlbacher, Ingrid Fischer, editors, Volume 3695 of Lecture Notes in Computer Science, Springer, 2005.

General Melting Point Prediction Based on a Diverse Compound Data Set and Artificial Neural NetworksMuthukumarasamy Karthikeyan, Robert C. Glen, Andreas Bender. jcisd, 45(3):581-590, 2005. [doi]

2004

2003

Predicting pK::a:: by Molecular Tree Structured Fingerprints and PLSLi Xing, Robert C. Glen, Robert D. Clark. jcisd, 43(3):870-879, 2003. [doi]

2002

Novel Methods for the Prediction of logP, pKa, and logDLi Xing, Robert C. Glen. jcisd, 42(4):796-805, 2002. [doi]

1997

VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methodsBernd Beck, Timothy Clark, Robert C. Glen. jcc, 18(6):744-756, 1997. [doi]

1995

A genetic algorithm for the automated generation of molecules within constraintsRobert C. Glen, A. W. R. Payne. jcamd, 9(2):181-202, 1995.

A genetic algorithm for flexible molecular overlay and pharmacophore elucidationGareth Jones, Peter Willett 0002, Robert C. Glen. jcamd, 9(6):532-549, 1995.

1994

Matching two-dimensional chemical graphs using genetic algorithmsRobert D. Brown, Gareth Jones, Peter Willett 0002, Robert C. Glen. jcisd, 34(1):63-70, 1994. [doi]

Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searchingDavid E. Clark, Gareth Jones, Peter Willett 0002, Peter W. Kenny, Robert C. Glen. jcisd, 34(1):197-206, 1994. [doi]

A fast empirical method for the calculation of molecular polarizabilityRobert C. Glen. jcamd, 8(4):457-466, 1994.

1993

Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic AlgorithmsGareth Jones, Robert D. Brown, David E. Clark, Peter Willett 0002, Robert C. Glen. icga 1993: 597-602

1992

Applications of rule-induction in the derivation of quantitative structure-activity relationshipsMohammed A-Razzak, Robert C. Glen. jcamd, 6(4):349-383, 1992.