Estimating chemical reactivity and cross-influence from collective chemical knowledge

Why is chemical synthesis and property optimization easier than expected?

(2011) Katharine W. Moore et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Universal characteristics of chemical synthesis and property optimization

(2011) Katharine W. Moore et al.   Chemical Science

FOG: Fragment Optimized Growth Algorithm for thede NovoGeneration of Molecules Occupying Druglike Chemical Space

(2009) Peter S. Kutchukian et al.   Journal of Chemical Information and Modeling

Synthetic popularity reflects chemical reactivity

(2009) Bartlomiej Kowalczyk et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

The 'wired' universe of organic chemistry

(2009) Bartosz A. Grzybowski et al.   Nature Chemistry

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE