New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling. | 3 | 0.44 | 2015 |
Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system. | 0 | 0.34 | 2012 |
Second-generation de novo design: a view from a medicinal chemist perspective. | 5 | 0.41 | 2009 |
Impact of conformational flexibility on three-dimensional similarity searching using correlation vectors. | 8 | 0.70 | 2006 |