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Publications by Dr Andreas Bender

Circular fingerprints: Flexible molecular descriptors with applications from physical chemistry to ADME (vol 9, pg 199, 2006)
RC Glen, A Bender, CH Arnby, L Carlsson, S Boyer, J Smith
– IDRUGS
(2006)
9,
311
Virtual screening: The king (quite often) has no clothes
RC Glen, A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231,
Harvesting chemical information from the internet using a distributed approach: ChemXtreme
M Karthikeyan, S Krishnan, AK Pandey, A Bender
– J Chem Inf Model
(2006)
46,
452
Circular fingerprints: Flexible molecular descriptors with applications from physical chemistry to ADME
RC Glem, A Bender, CH Arnby, L Carlsson, S Boyer, J Smith
– IDrugs : the investigational drugs journal
(2006)
9,
199
Characterizing bitterness: Identification of key structural features and development of a classification model
S Rodgers, RC Glen, A Bender
– J Chem Inf Model
(2006)
46,
569
Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR
A Bender, JL Jenkins, Q Li, SE Adams, EO Cannon, RC Glen
– Annual Reports in Computational Chemistry
(2006)
2,
141
Skeletal diversity construction via a branching synthetic strategy
EE Wyatt, S Fergus, WRJD Galloway, A Bender, DJ Fox, AT Plowright, AS Jessiman, M Welch, DR Spring
– Chemical communications (Cambridge, England)
(2006)
3296
In silico target fishing: Predicting biological targets from chemical structure
JL Jenkins, A Bender, JW Davies
– Drug Discovery Today: Technologies
(2006)
3,
413
Erratum: Circular fingerprints: Flexible molecular descriptors with application from physical chemistry to ADME (The Investigational Drugs Journal (2006) vol. 9 (3) (199-204))
RC Glen, A Bender, CH Amby, L Carlsson, S Boyer, J Smith
– IDrugs
(2006)
9,
311
Diversity oriented synthesis: A challenge for synthetic chemists
A Bender, S Fergus, WRJD Galloway, FG Glansdorp, DM Marsden, RL Nicholson, RJ Spandl, GL Thomas, EE Wyatt, RC Glen, DR Spring
– Ernst Schering Research Foundation workshop
(2006)
58,
47
Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: Limitations of the descriptor and the importance of balanced chemistry in training and test sets
A Bender, HY Mussa, RC Glen
– Journal of Biomolecular Screening
(2005)
10,
658
Discussion of measures of enrichment in virtual screening: Comparing the information content of descriptors with increasing levels of sophistication
A Bender, RC Glen
– J CHEM INF MODEL
(2005)
45,
1369
A Discussion of Measures of Enrichment in Virtual Screening:  Comparing the Information Content of Descriptors with Increasing Levels of Sophistication
A Bender, RC Glen
– J Chem Inf Model
(2005)
45,
1369
Assessment of structural diversity in combinatorial synthesis.
S Fergus, A Bender, DR Spring
– Current opinion in chemical biology
(2005)
9,
304
General Melting Point Prediction Based on a Diverse Compound Data Set and Artificial Neural Networks
M Karthikeyan, RC Glen, A Bender
– J Chem Inf Model
(2005)
45,
581
Encoding and Decoding Graphical Chemical Structures as Two-Dimensional (PDF417) Barcodes
M Karthikeyan, A Bender
– J Chem Inf Model
(2005)
45,
572
Molecular similarity searching using COSMO screening charges (COSMO/3PP)
A Bender, A Klamt, K Wichmann, M Thormann, RC Glen
– Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
(2005)
3695,
175
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D)
A Bender, HY Mussa, GS Gill, RC Glen
– J Med Chem
(2004)
47,
6569
Molecular similarity: a key technique in molecular informatics.
A Bender, RC Glen
– Org Biomol Chem
(2004)
2,
3204
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
(2004)
44,
1708

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