Area of research
Computational Theory and Mathematics · Materials Chemistry
Research interest
Research interests include Computational Drug Discovery Methods, Machine Learning in Materials Science, Pharmacogenetics and Drug Metabolism, and Protein Structure and Dynamics.
Pharos 2023: an integrated resource for the understudied human proteome
TCRD and Pharos 2021: mining the human proteome for disease biology
SuperDRUG2: a one stop resource for approved/marketed drugs
Drugs as habitable planets in the space of dark chemical matter
WITHDRAWN—a resource for withdrawn and discontinued drugs
Molecular similarity-based predictions of the Tox21 screening outcome