Radial basis function neural network-based QSPR for the prediction of critical temperature

Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties

Alan R. Katritzky, Uko Maran, Victor S. Lobanov et al. · Journal of Chemical Information and Computer Sciences · 1999 · 270 citations

Natural Sciences, Chemistry, Computational Chemistry +9

Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling

Jarmo Huuskonen, Marja Salo, Jyrki Taskinen · Journal of Chemical Information and Computer Sciences · 1998 · 166 citations

Pharmacy, Chemistry, Medicinal Chemistry +16

Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure

Brooke E. Mitchell, Peter C. Jurs · Journal of Chemical Information and Computer Sciences · 1998 · 116 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Neural network studies. 1. Estimation of the aqueous solubility of organic compounds

Nicholas Bodor, Alan J. Harget, Ming Ju Huang · Journal of the American Chemical Society · 1991 · 109 citations

Natural Sciences, Chemistry, Analytical Chemistry +12

Boiling Point and Critical Temperature of a Heterogeneous Data Set:  QSAR with Atom Type Electrotopological State Indices Using Artificial Neural Networks

Lowell H. Hall, C. T. Story · Journal of Chemical Information and Computer Sciences · 1996 · 105 citations

Natural Sciences, Chemistry, Computer Science +16