A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug DatabasesArup K. Ghose, John J. Wendoloski, Vellarkad N. Viswanadhan|Journal of Combinatorial Chemistry|1998Cited by 3k
Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP MethodsArup K. Ghose, John J. Wendoloski, Vellarkad N. Viswanadhan|The Journal of Physical Chemistry A|1998Cited by 794
Knowledge-Based, Central Nervous System (CNS) Lead Selection and Lead Optimization for CNS Drug DiscoveryArup K. Ghose, John P. Mallamo, Bruce D. Dorsey et al.|ACS Chemical Neuroscience|2011Cited by 436
Prediction of Solvation Free Energies of Small Organic Molecules: Additive-Constitutive Models Based on Molecular Fingerprints and Atomic ConstantsVellarkad N. Viswanadhan, John J. Wendoloski, U. Chandra Singh et al.|Journal of Chemical Information and Computer Sciences|1999Cited by 60
Technically Extended MultiParameter Optimization (TEMPO): An Advanced Robust Scoring Scheme To Calculate Central Nervous System Druggability and Monitor Lead OptimizationArup K. Ghose, Robert L. Hudkins, Gregory R. Ott|ACS Chemical Neuroscience|2016Cited by 38