Publications
- Computational Toxicology: An Overview of the Sources of Data and of Modelling Methods,
F. Nigsch. N.J.M. Macaluso, J.B.O. Mitchell, D. Zmuidinavicius,
Expert Opinion on Drug Metabolism and Toxicology, accepted
doi: to follow - Simultaneous Feature Selection and Parameter Optimisation using an Artificial Ant Colony: Case Study of Melting Point Prediction,
N.M. O’Boyle, D.S. Palmer, F. Nigsch & J.B.O. Mitchell,
Chemistry Central Journal, 2008, 2:21
doi: 10.1186/1752-153X-2-21 - Ligand-Target Prediction using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics
F. Nigsch, A. Bender, J. L. Jenkins & J.B.O. Mitchell
Journal of Chemical Information and Modeling, ASAP article
doi: 10.1021/ci800079x - Toxicological Relationships Between Proteins Obtained from Protein Target Predictions of Large Toxicity Databases
F. Nigsch & J.B.O. Mitchell
Toxicology and Applied Pharmacology, 231, 225-234 (2008)
doi: 10.1016/j.taap.2008.05.007 - How to Winnow Actives from Inactives: Introducing Molecular Orthogonal Sparse Bigrams (MOSBs) and Multiclass Winnow
F. Nigsch and J.B.O. Mitchell
Journal of Chemical Information and Modeling, 48, 306-318 (2008)
doi: 10.1021/ci700350n - Novel Hybrid Ultrafast Shape Descriptor Method for use in Virtual Screening
E.O. Cannon, F. Nigsch and J.B.O. Mitchell
Chemistry Central Journal 2:3 (2008)
doi: 10.1186/1752-153X-2-3 - Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P
L.D. Hughes, D.S. Palmer, F. Nigsch & J.B.O. Mitchell
Journal of Chemical Information and Modeling, 48, 220-232 (2008)
doi: 10.1021/ci700307p - In Vitro Models For Processes Involved In Intestinal Absorption
F. Nigsch, W. Klaffke & S. Miret
Expert Opinion on Drug Metabolism and Toxicology, 3(4): 545-556 (2007)
doi: 10.1517/17425225.3.4.545 - Melting Point Prediction Employing k-nearest Neighbor Algorithms and Genetic Parameter Optimization
F. Nigsch, A. Bender, B. van Buuren, J. Tissen, E. Nigsch & J.B.O. Mitchell,
Journal of Chemical Information and Modeling, 46(6), 2412-2422, 2006
doi: 10.1021/ci060149f - Total Synthesis of (+)-Crocacin D
Luiz C. Dias, Luciana G. de Oliveira, Janaína D. Vilcachagua and Florian Nigsch
Journal of Organic Chemistry, 70 (6), 2225 -2234, 2005
http://dx.doi.org/10.1021/jo047732k