skip to content
Home

Yusuf Hamied Department of Chemistry

 

Publications by Professor Andreas Bender

Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint.
A Bender, DW Young, JL Jenkins, M Serrano, D Mikhailov, PA Clemons, JW Davies
– Combinatorial Chemistry and High Throughput Screening
(2007)
10,
719
(DOI: 10.2174/138620707782507313)
A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification
Q Li, A Bender, J Pei, L Lai
– J Chem Inf Model
(2007)
47,
1776
(DOI: 10.1021/ci700107y)
COMP 158-Automated combinatorial alignment for 3-D similarity searching
JH Nettles, JL Jenkins, Z Deng, A Bender, JW Davies, M Glick
– ABSTR PAP AM CHEM S
(2007)
234,
Side effect profile prediction: Computational tackling of big pharma's worst nightmare at an early stage
J Scheiber, JL Jenkins, A Bender, S Whitebread, J Hamon, L Urban, K Azzaoui, JH Nettles, M Glick, JW Davies
– ABSTR PAP AM CHEM S
(2007)
234,
Prediction of small molecule targets based on protein domains: Extrapolation into unknown target space
JL Jenkins, A Bender, D Mikhailov
– ABSTR PAP AM CHEM S
(2007)
234,
"Phylochemical Tree" for drug targets: Putting biological activities into context via ligand-based similarity measures
A Bender, JL Jenkins, JW Davies
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234,
COMP 495-Tautomers, conformers, and computation of chemical similarity
JH Nettles, JL Jenkins, Z Deng, A Bender, J Scheiber, JW Davies, M Glick
– ABSTR PAP AM CHEM S
(2007)
234,
Understanding False Positives in Reporter Gene Assays:  in Silico Chemogenomics Approaches To Prioritize Cell-Based HTS Data
TJ Crisman, CN Parker, JL Jenkins, J Scheiber, M Thoma, ZB Kang, R Kim, A Bender, JH Nettles, JW Davies, M Glick
– Journal of Chemical Information and Modeling
(2007)
47,
1319
(DOI: 10.1021/ci6005504)
Modeling Promiscuity Based on in vitro Safety Pharmacology Profiling Data
K Azzaoui, J Hamon, B Faller, S Whitebread, E Jacoby, A Bender, JL Jenkins, L Urban
– Chemmedchem
(2007)
2,
874
(DOI: 10.1002/cmdc.200700036)
Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure
A Bender, J Scheiber, M Glick, JW Davies, K Azzaoui, J Hamon, L Urban, S Whitebread, JL Jenkins
– Chemmedchem
(2007)
2,
861
(DOI: 10.1002/cmdc.200700026)
"Plate cherry picking": A novel semi-sequential screening paradigm for cheaper, faster, information-rich compound selection
TJ Crisman, JL Jenkins, CN Parker, WAG Hill, A Bender, Z Deng, JH Nettles, JW Davies, M Glick
– Journal of Biomolecular Screening
(2007)
12,
320
(DOI: 10.1177/1087057107299427)
Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds.
EO Cannon, A Amini, A Bender, MJE Sternberg, SH Muggleton, RC Glen, JBO Mitchell
– Journal of Computer Aided Molecular Design
(2007)
21,
269
(DOI: 10.1007/s10822-007-9113-3)
Flexible 3D pharmacophores as descriptors of dynamic biological space.
JH Nettles, JL Jenkins, C Williams, AM Clark, A Bender, Z Deng, JW Davies, M Glick
– J Mol Graph Model
(2007)
26,
622
(DOI: 10.1016/j.jmgm.2007.02.005)
Evolved cellular automata for protein secondary structure prediction imitate the determinants for folding observed in nature.
P Chopra, A Bender
– In Silico Biology Journal of Biological Systems Modeling and Multi-Scale Simulation
(2007)
7,
87
(DOI: 10.3233/isb-00277)
In silico target fishing: Predicting biological targets from chemical structure
JL Jenkins, A Bender, JW Davies
– Drug Discovery Today: Technologies
(2006)
3,
413
(DOI: 10.1016/j.ddtec.2006.12.008)
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
– Computational Chemistry
(2006)
2,
141
(DOI: 10.1016/S1574-1400(06)02009-3)
Bridging Chemical and Biological Space:  “Target Fishing” Using 2D and 3D Molecular Descriptors
JH Nettles, JL Jenkins, A Bender, Z Deng, JW Davies, M Glick
– Journal of Medicinal Chemistry
(2006)
49,
6802
(DOI: 10.1021/jm060902w)
Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization.
F Nigsch, A Bender, B van Buuren, J Tissen, E Nigsch, JBO Mitchell
– Journal of chemical information and modeling
(2006)
46,
2412
(DOI: 10.1021/ci060149f)
Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport
EO Cannon, A Bender, DS Palmer, JBO Mitchell
– Journal of Chemical Information and Modeling
(2006)
46,
2369
(DOI: 10.1021/ci0601160)
Bridging chemical and biological space: "Target Fishing" using 2D and 3D molecular descriptors
JH Nettles, JL Jenkins, A Bender, Z Deng, JW Davies, M Glick
– ABSTR PAP AM CHEM S
(2006)
232,
293

    Study at Cambridge

    About the University

    Research at Cambridge