J. Andrew Grant

Publication Activity (10 Years)

Years Active: 1996-2013
Publications (10 Years): 0

Top Topics

Nearest Neighbor

Maximum Common Subgraph

Top Venues

J. Cheminformatics

Publications

Roger A. Sayle, José Batista, J. Andrew Grant
Efficient maximum common subgraph (MCS) searching of large chemical databases. J. Cheminformatics 5 (S-1) (2013)
Jean-François Truchon, Anthony Nicholls, J. Andrew Grant, Radu I. Iftimie, Benoît Roux, Christopher I. Bayly
Using electronic polarization from the internal continuum (EPIC) for intermolecular interactions. J. Comput. Chem. 31 (4) (2010)
Anthony Nicholls, Stanislaw Wlodek, J. Andrew Grant
SAMPL2 and continuum modeling. J. Comput. Aided Mol. Des. 24 (4) (2010)
J. Andrew Grant, James A. Haigh, Barry T. Pickup, Anthony Nicholls, Roger A. Sayle
Lingos, Finite State Machines, and Fast Similarity Searching. J. Chem. Inf. Model. 46 (5) (2006)
Anthony Nicholls, J. Andrew Grant
Molecular shape and electrostatics in the encoding of relevant chemical information. J. Comput. Aided Mol. Des. 19 (9-10) (2005)
James A. Haigh, Barry T. Pickup, J. Andrew Grant, Anthony Nicholls
Small Molecule Shape-Fingerprints. J. Chem. Inf. Model. 45 (3) (2005)
J. Andrew Grant, Barry T. Pickup, Anthony Nicholls
A smooth permittivity function for Poisson-Boltzmann solvation methods. J. Comput. Chem. 22 (6) (2001)
J. Andrew Grant, M. A. Gallardo, Barry T. Pickup
A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape. J. Comput. Chem. 17 (14) (1996)