robert c. glen
robert c. glen
Cambridge University and Imperial College London
Email verificata su cam.ac.uk - Home page
Titolo
Citata da
Citata da
Anno
Development and validation of a genetic algorithm for flexible docking
G Jones, P Willett, RC Glen, AR Leach, R Taylor
Journal of molecular biology 267 (3), 727-748, 1997
57701997
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
G Jones, P Willett, RC Glen
Journal of molecular biology 245 (1), 43-53, 1995
17171995
Encyclopedia of computational chemistry
P von Ragu Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
1316*1998
Molecular similarity: a key technique in molecular informatics
A Bender, RC Glen
Organic & biomolecular chemistry 2 (22), 3204-3218, 2004
5232004
A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
G Jones, P Willett, RC Glen
Journal of computer-aided molecular design 9 (6), 532-549, 1995
4861995
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance
A Bender, HY Mussa, RC Glen, S Reiling
Journal of chemical information and computer sciences 44 (5), 1708-1718, 2004
3332004
Molecular similarity searching using atom environments, information-based feature selection, and a naive Bayesian classifier
A Bender, HY Mussa, RC Glen, S Reiling
Journal of chemical information and computer sciences 44 (1), 170-178, 2004
2892004
From in silico target prediction to multi-target drug design: Current databases, methods and applications
A Koutsoukas, B Simms, J Kirchmair, PJ Bond, AV Whitmore, S Zimmer, ...
Journal of proteomics 74 (12), 2554-2574, 2011
2562011
Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms
J Kirchmair, MJ Williamson, JD Tyzack, L Tan, PJ Bond, A Bender, ...
Journal of chemical information and modeling 52 (3), 617-648, 2012
2512012
Predicting drug metabolism: experiment and/or computation?
J Kirchmair, AH Gller, D Lang, J Kunze, B Testa, ID Wilson, RC Glen, ...
Nature reviews Drug discovery 14 (6), 387-404, 2015
2392015
Random forest models to predict aqueous solubility
DS Palmer, NM O'Boyle, RC Glen, JBO Mitchell
Journal of chemical information and modeling 47 (1), 150-158, 2007
2342007
Novel Methods for the Prediction of logP, p K a, and logD
L Xing, RC Glen
Journal of chemical information and computer sciences 42 (4), 796-805, 2002
1892002
A discussion of measures of enrichment in virtual screening: comparing the information content of descriptors with increasing levels of sophistication
A Bender, RC Glen
Journal of chemical information and modeling 45 (5), 1369-1375, 2005
1662005
Solubility challenge: can you predict solubilities of 32 molecules using a database of 100 reliable measurements?
A Llins, RC Glen, JM Goodman
Journal of chemical information and modeling 48 (7), 1289-1303, 2008
1532008
Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME
RC Glen, A Bender, CH Arnby, L Carlsson, S Boyer, J Smith
IDrugs 9 (3), 199, 2006
1522006
Synthesis and biological evaluation of novel pyrazoles and indazoles as activators of the nitric oxide receptor, soluble guanylate cyclase
DL Selwood, DG Brummell, J Budworth, GE Burtin, RO Campbell, ...
Journal of medicinal chemistry 44 (1), 78-93, 2001
1512001
A genetic algorithm for the automated generation of molecules within constraints
RC Glen, AWR Payne
Journal of Computer-Aided Molecular Design 9 (2), 181-202, 1995
1501995
5-HT2A receptor inverse agonists
DP Behan, DT Chalmers, RJ Foster, RC Glen, MS Lawless, CW Liaw, ...
US Patent 6,107,324, 2000
1272000
In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Nave Bayes and Parzen-Rosenblatt window
A Koutsoukas, R Lowe, Y KalantarMotamedi, HY Mussa, W Klaffke, ...
Journal of chemical information and modeling 53 (8), 1957-1966, 2013
1262013
Diclofenac solubility: independent determination of the intrinsic solubility of three crystal forms
A Llinas, JC Burley, KJ Box, RC Glen, JM Goodman
Journal of medicinal chemistry 50 (5), 979-983, 2007
1262007
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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