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Robin Taylor
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2020 – today
- 2020
- [j23]Andreas Tosstorff
, Jason C. Cole
Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization. J. Chem. Inf. Model. 60(12): 6595-6611 (2020)
2010 – 2019
- 2018
- [j22]Jason C. Cole
Knowledge-Based Conformer Generation Using the Cambridge Structural Database. J. Chem. Inf. Model. 58(3): 615-629 (2018) - 2016
- [j21]Stuart Lewis, Lorraine Beard, Mary McDerby, Robin Taylor, Thomas Higgins, Claire Knowles:
Developing a Data Vault. Int. J. Digit. Curation 11(1): 86-95 (2016) - 2014
- [j20]Patrick McCabe, Oliver Korb, Jason C. Cole, Robin Taylor:
Kernel density estimation of CSD distributions - an application to knowledge based molecular optimisation. J. Cheminformatics 6(S-1): 10 (2014) - [j19]Robin Taylor, Jason C. Cole, Oliver Korb
Knowledge-Based Libraries for Predicting the Geometric Preferences of Druglike Molecules. J. Chem. Inf. Model. 54(9): 2500-2514 (2014) - 2012
- [j18]Robin Taylor, Jason C. Cole
Development and validation of an improved algorithm for overlaying flexible molecules. J. Comput. Aided Mol. Des. 26(4): 451-472 (2012) - [j17]Simon J. Cottrell
Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data. J. Chem. Inf. Model. 52(4): 956-962 (2012) - 2011
- [j16]Robin Taylor:
Short Nonbonded Contact Distances in Organic Molecules and Their Use as Atom-Clash Criteria in Conformer Validation and Searching. J. Chem. Inf. Model. 51(4): 897-908 (2011)
2000 – 2009
- 2009
- [j15]Eleanor J. Gardiner, David A. Cosgrove, Robin Taylor, Valerie J. Gillet
Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations. J. Chem. Inf. Model. 49(12): 2761-2773 (2009) - 2008
- [j14]Noel M. O'Boyle
Using Buriedness To Improve Discrimination between Actives and Inactives in Docking. J. Chem. Inf. Model. 48(6): 1269-1278 (2008) - 2006
- [j13]Simon J. Cottrell
Incorporating partial matches within multiobjective pharmacophore identification. J. Comput. Aided Mol. Des. 20(12): 735-749 (2006) - 2005
- [j12]Stephanie E. Harris, A. Guy Orpen, Ian J. Bruno
Factors Affecting d-Block Metal-Ligand Bond Lengths: Toward an Automated Library of Molecular Geometry for Metal Complexes. J. Chem. Inf. Model. 45(6): 1727-1748 (2005) - 2004
- [j11]Simon J. Cottrell
Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques. J. Comput. Aided Mol. Des. 18(11): 665-682 (2004) - [j10]Ian J. Bruno
Retrieval of Crystallographically-Derived Molecular Geometry Information. J. Chem. Inf. Model. 44(6): 2133-2144 (2004)
1990 – 1999
- 1998
- [j9]Ian J. Bruno, Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Marcel L. Verdonk:
IsoStar: A library of information about nonbonded interactions. J. Comput. Aided Mol. Des. 12(6): 525-537 (1998) - 1997
- [j8]David A. Thorner, Peter Willett, P. Matthew Wright, Robin Taylor:
Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphs. J. Comput. Aided Mol. Des. 11(2): 163-174 (1997) - [j7]Ian J. Bruno, Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Marcel L. Verdonk:
IsoStar: A library of information about nonbonded interactions. J. Comput. Aided Mol. Des. 11(6): 525-537 (1997) - [j6]Jos P. M. Lommerse, Sarah L. Price, Robin Taylor:
Hydrogen bonding of carbonyl, ether, and ester oxygen atoms with alkanol hydroxyl groups. J. Comput. Chem. 18(6): 757-774 (1997) - 1996
- [j5]Frank H. Allen, Stephanie E. Harris, Robin Taylor:
Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques. J. Comput. Aided Mol. Des. 10(3): 247-254 (1996) - 1995
- [j4]Robin Taylor:
Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals. J. Chem. Inf. Comput. Sci. 35(1): 59-67 (1995) - 1994
- [j3]Anne Mullaley, Robin Taylor:
Conformational properties of pyrethroids. J. Comput. Aided Mol. Des. 8(2): 135-152 (1994) - 1993
- [j2]John S. Delaney, Anne Mullaley, Graham W. Mullier, Graham J. Sexton, Robin Taylor, Russell C. Viner:
Rapid construction of data tables for quantitative structure-activity relationship studies. J. Chem. Inf. Comput. Sci. 33(1): 174-178 (1993) - 1991
- [c1]Robin Taylor:
A Seven Layer Data Architecture for Business Understanding and Database Implementation. ER 1991: 783-793
1980 – 1989
- 1986
- [j1]Robin Taylor, Olga Kennard:
Cambridge Crystallographic Data Centre. 7. Estimating average molecular dimensions from the Cambridge Structural Database. J. Chem. Inf. Comput. Sci. 26(1): 28-32 (1986)
Coauthor Index
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