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Publications by Dr Andreas Bender

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
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
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
Similarity searching using atom environments, information gain based feature selection and the naive Bayesian classifier.
A Bender, S Reiling, HY Mussa, RC Glen
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227,
U907
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
(2004)
44,
170
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT)
A Bender, HY Mussa, GS Gill, RC Glen
– 2004 IEEE INTERNATIONAL CONFERENCE ON SYSTEMS, MAN & CYBERNETICS, VOLS 1-7
(2004)
5,
4553
Properties and prediction of mitochondrial transit peptides from Plasmodium falciparum.
A Bender, GG van Dooren, SA Ralph, GI McFadden, G Schneider
– Mol Biochem Parasitol
(2003)
132,
59
Cutting edge approaches to drug design
A Bender
– Drug Discovery Today: BIOSILICO
(2003)
1,
53
Orthologue chemical space and its influence on target prediction
LH Mervin, KC Bulusu, L Kalash, A Afzal, F Svensson, MA Firth, I Barrett, O Engkvist, A Bender
– Bioinformatics (Oxford, England)
(2017)
A one pot synthesis of novel bioactive tri- substitute-condensed-imidazopyridines that targets snake venom phospholipase A<inf>2</inf>
NC Anilkumar, MS Sundaram, CD Mohan, S Rangappa, KC Bulusu, JE Fuchs, KS Girish, A Bender, Basappa, KS Rangappa
– PLoS One
(2015)
10,
e0131896

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