Pattern recognition study of QSAR substituent descriptors. - Han van de Waterbeemd; Nabil El Tayar; Pierre-Alain Carrupt; Bernard Testa (J. Comput. Aided Mol. Des., 1989)

Molecular Lipophilicity Potential, a tool in 3D QSAR: Method and applications. - Patrick Gaillard; Pierre-Alain Carrupt; Bernard Testa; Alain Boudon (J. Comput. Aided Mol. Des., 1994)

Complex systems in drug research: II. The ligand - active site - water confluence as a complex system. - Lemont B. Kier; Bernard Testa (Complex., 1996)

Complex systems in drug research: I. The chemical levels. - Bernard Testa; Lemont B. Kier (Complex., 1996)

Cellular automata models of biochemical phenomena. - Lemont B. Kier; Chao-Kun Cheng; Bernard Testa (Future Gener. Comput. Syst., 1999)

A Cellular Automata Model of the Percolation Process. - Lemont B. Kier; Chao-Kun Cheng; Bernard Testa (J. Chem. Inf. Comput. Sci., 1999)

Emergence and Dissolvence in the Self-organisation of Complex Systems. - Bernard Testa; Lemont B. Kier (Entropy, 2000)

A Cellular Automata Study of Constraints (Dissolvence) in a Percolating Many-Particle System. - Bernard Testa; Lemont B. Kier; Chun-Kao Cheng; Joachim Mayer (Entropy, 2001)

A Cellular Automata Model of Water Structuring by a Chiral Solute. - Bernard Testa; Lemont B. Kier; Chao-Kun Cheng (J. Chem. Inf. Comput. Sci., 2002)

Studies of Ligand Diffusion Pathways over a Protein Surface. - Lemont B. Kier; Cho-Kung Cheng; Bernard Testa (J. Chem. Inf. Comput. Sci., 2003)

Dispersal (Entropy) and Recognition (Information) as Foundations of Emergence and Dissolvence. - Bernard Testa (Entropy, 2009)

Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0. - Giulio Vistoli; Alessandro Pedretti; Angelica Mazzolari; Bernard Testa (J. Comput. Aided Mol. Des., 2010)

Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity. - Giulio Vistoli; Angelica Mazzolari; Bernard Testa; Alessandro Pedretti (J. Chem. Inf. Model., 2017)

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. - Martin Sícho; Conrad Stork; Angelica Mazzolari; Christina de Bruyn Kops; Alessandro Pedretti; Bernard Testa; Giulio Vistoli; Daniel Svozil; Johannes Kirchmair (J. Chem. Inf. Model., 2019)