Journal of chemical information and modeling
International Standard Serial Number (ISSN)
publication venue for
Efficient calculation of molecular properties from simulation using kernel molecular dynamics.
Quantifying the relationships among drug classes.
Scaffold topologies. 1. Exhaustive enumeration up to eight rings.
Scaffold topologies. 2. Analysis of chemical databases.
Ligand-based virtual screening by novelty detection with self-organizing maps.
MTD-PLS: a PLS variant of the minimal topologic difference method. III. Mapping interactions between estradiol derivatives and the alpha estrogenic receptor.
Rapid evaluation of synthetic and molecular complexity for in silico chemistry.