Tautomers and topomers: challenging the uncertainties of direct physicochemical modeling.
Cramer
Richard D
RD
Tripos, Inc., 1699 South Hanley Road, St. Louis, MO, 63144, USA. cramer@tripos.com
D007536:Isomerism; D008024:Ligands; D008956:Models, Chemical
D008024:Ligands