| A graph-based genetic algorithm and its application to the multiobjective evolution of median molecules N Brown, B McKay, F Gilardoni, J Gasteiger Journal of chemical information and computer sciences 44 (3), 1079-1087, 2004 | 226 | 2004 |
| Steady-state modelling of chemical process systems using genetic programming B McKay, M Willis, G Barton Computers & chemical engineering 21 (9), 981-996, 1997 | 189 | 1997 |
| Modelling chemical process systems using a multi-gene genetic programming algorithm M Hinchliffe, MJ Willis, H Hiden, MT Tham, B McKay, GW Barton Genetic Programming: Proceedings of the First Annual Conference (late …, 1996 | 134 | 1996 |
| Using a tree structured genetic algorithm to perform symbolic regression B McKay, MJ Willis, GW Barton First international conference on genetic algorithms in engineering systems …, 1995 | 119 | 1995 |
| Genetic programming: An introduction and survey of applications MJ Willis, HG Hiden, P Marenbach, B McKay, GA Montague Second international conference on genetic algorithms in engineering systems …, 1997 | 116 | 1997 |
| Systems modelling using genetic programming M Willis, H Hiden, M Hinchliffe, B McKay, GW Barton Computers & chemical engineering 21, S1161-S1166, 1997 | 76 | 1997 |
| A novel workflow for the inverse QSPR problem using multiobjective optimization N Brown, B McKay, J Gasteiger Journal of computer-aided molecular design 20, 333-341, 2006 | 55 | 2006 |
| Oxazaborolidine mediated asymmetric ketone reduction: prediction of enantiomeric excess based on catalyst structure M Hoogenraad, GM Klaus, N Elders, SM Hooijschuur, B McKay, AA Smith, ... Tetrahedron: Asymmetry 15 (3), 519-523, 2004 | 49 | 2004 |
| The de novo design of median molecules within a property range of interest N Brown, B McKay, J Gasteiger Journal of computer-aided molecular design 18, 761-771, 2004 | 48 | 2004 |
| Understanding catalytic biomass conversion through data mining EJ Ras, B McKay, G Rothenberg Topics in Catalysis 53, 1202-1208, 2010 | 44 | 2010 |
| Modeling and control of a food extrusion process J Elsey, J Riepenhausen, B McKay, GW Barton, M Willis Computers & chemical engineering 21, S361-S366, 1997 | 37 | 1997 |
| Extruder modelling: A comparison of two paradigms B McKay, B Lennox, M Willis, GW Barton, G Montague UKACC International Conference on Control'96 (Conf. Publ. No. 427) 2, 734-739, 1996 | 28 | 1996 |
| Advances in multivariate analysis in pharmaceutical process development. B McKay, M Hoogenraad, EW Damen, AA Smith Current opinion in drug discovery & development 6 (6), 966-977, 2003 | 27 | 2003 |
| Non-linear partial least squares using genetic programming H Hiden, B McKay, M Willis, M Tham Genetic Programming 1998: Proceedings of the Third Annual Conference 1, 128-133, 1998 | 27 | 1998 |
| Asymmetric catalytic ketone hydrogenation: Relating substrate structure and product enantiomeric excess using QSPR JB van der Linden, EJ Ras, SM Hooijschuur, GM Klaus, NT Luchters, ... QSAR & Combinatorial Science 24 (1), 94-98, 2005 | 23 | 2005 |
| Identification of industrial processes using genetic programming B McKay, MJ Willis, HG Hiden, GA Montague, GW Barton Proceedings of International Conference on Identification in Engineering …, 1996 | 22 | 1996 |
| Fingal: A Novel Approach to Geometric Fingerprinting and a Comparative Study of Its Application to 3D‐QSAR Modelling N Brown, B McKay, J Gasteiger QSAR & Combinatorial Science 24 (4), 480-484, 2005 | 20 | 2005 |
| Non-linear and direction dependent dynamic modelling using genetic programming HG Hiden, MJ Willis, B McKay, GA Montague Proceedings of the Second Annual Conference, 168-173, 1997 | 20 | 1997 |
| Evolving input-output models of chemical process systems using genetic programming B McKay, J Elsey, MJ Willis, GW Barton IFAC Proceedings Volumes 29 (1), 6072-6077, 1996 | 20 | 1996 |
| R&D Intensification in Polymer Catalyst and Product Development by Using High‐Throughput Experimentation and Simulation GJM Gruter, A Graham, B McKay, F Gilardoni Macromolecular rapid communications 24 (1), 73-80, 2003 | 19 | 2003 |
