Data-Driven Drug Discovery and Molecular Informatics

Publications

Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 521 - 540 of 562 publications
Author(s)
Publication title
Journal Name
Publication year
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
(doi: 10.1021/ci6005504)
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
(doi: 10.1002/cmdc.200700026)
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
(doi: 10.1002/cmdc.200700036)
"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
(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
(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
(doi: 10.1016/j.jmgm.2007.02.005)
Synthesis of CaO-P<sub>2</sub>O<sub>5</sub>-SiO<sub>2</sub> Monolithic with Double Pore Structure by Peg /Starch
HB Yang, Q Chen, L Song, HP Li, JY Lu, WZ Zhang
Key Engineering Materials
(2007)
330-332 II
(doi: 10.4028/0-87849-422-7.979)
Evolved Cellular Automata for Protein Secondary Structure Prediction Imitate the Determinants for Folding Observed in Nature
P Chopra, A Bender
In Silico Biol
(2007)
7
(doi: 10.3233/isb-00277)
Double-pore structure and enzyme activity of SiO2 monolithic carrier
H-B Yang, Q Chen, L Song, J-Y Lu, H-P Li
Chinese Journal of Inorganic Chemistry
(2007)
23
In silico target fishing: Predicting biological targets from chemical structure
JL Jenkins, A Bender, JW Davies
Drug Discovery Today Technologies
(2006)
3
(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
Annual reports in computational chemistry
(2006)
2
(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
J Med Chem
(2006)
49
(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
(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
(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
“Bayes Affinity Fingerprints” Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept?
A Bender, JL Jenkins, M Glick, Z Deng, JH Nettles, JW Davies
Journal of chemical information and modeling
(2006)
46
(doi: 10.1021/ci600197y)
Synthesis and enzyme activity of SiO2 monolithic carrier with double-pore structure by addition of starch/PEG
HB Yang, Q Chen, L Song, RF Ye, FZ Hou, JY Lu
Wuji Cailiao Xuebao Journal of Inorganic Materials
(2006)
21
Skeletal diversity construction via a branching synthetic strategy
EE Wyatt, S Fergus, W Galloway, A Bender, DJ Fox, AT Plowright, AS Jessiman, M Welch, DR Spring
Chemical Communications
(2006)
(doi: 10.1039/b607710b)
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
Virtual screening: The king (quite often) has no clothes
RC Glen, A Bender
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
Contacts
Directions

Privacy and cookie policy

About the Department

Departmental Services

Bender Group

Email: ab454@cam.ac.uk
T: 01223 762983

Study at Cambridge

About the University

Research at Cambridge