Todd J. Wills

Structural Approach to Assessing the Innovativeness of New Drugs Finds Accelerating Rate of Innovation

Todd J. Wills, Alan H. Lipkus · ACS Medicinal Chemistry Letters · 2020 · 33 citations · Full text

Pharmaceutical Innovation, Molecular Biology, Structural Novelty +22

Recent Changes in the Scaffold Diversity of Organic Chemistry As Seen in the CAS Registry

Alan H. Lipkus, Steven P. Watkins, Keith Gengras et al. · The Journal of Organic Chemistry · 2019 · 30 citations · Full text

Combinatorial Chemistry, Diversity Oriented Synthesis, Chemical Analysis +11

Impact of Chemist-In-The-Loop Molecular Representations on Machine Learning Outcomes

Todd J. Wills, Dmitrii Polshakov, Matthew C. Robinson et al. · Journal of Chemical Information and Modeling · 2020 · 18 citations

Molecular Fingerprints, Engineering, Machine Learning +20