A recursive-partitioning model for blood–brain barrier permeation S.R. Mente*F. Lombardo OriginalPaper 06 December 2005 Pages: 465 - 481
Surrogate docking: structure-based virtual screening at high throughput speed Sukjoon YoonAndrew SmellieAnton Filikov OriginalPaper 16 November 2005 Pages: 483 - 497
Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines H.X. LiuX.J. YaoB.T. Fan OriginalPaper 30 November 2005 Pages: 499 - 508
Quantitative prediction of imprinting factor of molecularly imprinted polymers by artificial neural network Chanin NantasenamatThanakorn NaennaVirapong Prachayasittikul OriginalPaper 22 October 2005 Pages: 509 - 524
Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands Laurence LeherteNathalie MeuriceDaniel P. Vercauteren OriginalPaper 16 November 2005 Pages: 525 - 549