2007 |
4 | EE | Vladimir Hnizdo,
Eva Darian,
Adam Fedorowicz,
Eugene Demchuk,
Shengqiao Li,
Harshinder Singh:
Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules.
Journal of Computational Chemistry 28(3): 655-668 (2007) |
2005 |
3 | EE | Shengqiao Li,
Adam Fedorowicz,
Harshinder Singh,
Sidney C. Soderholm:
Application of the Random Forest Method in Studies of Local Lymph Node Assay Based Skin Sensitization Data.
Journal of Chemical Information and Modeling 45(4): 952-964 (2005) |
2 | EE | Eva Darian,
Vladimir Hnizdo,
Adam Fedorowicz,
Harshinder Singh,
Eugene Demchuk:
Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations.
Journal of Computational Chemistry 26(7): 651-660 (2005) |
2003 |
1 | EE | Vladimir Hnizdo,
Adam Fedorowicz,
Harshinder Singh,
Eugene Demchuk:
Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations.
Journal of Computational Chemistry 24(10): 1172-1183 (2003) |