Comparison of structure fingerprint and molecular interaction field based methods in explaining biological similarity of small molecules in cell-based screens. - Pekka Tiikkainen; Antti Poso; Olli-P. Kallioniemi (J. Comput. Aided Mol. Des., 2009)

Critical Comparison of Virtual Screening Methods against the MUV Data Set. - Pekka Tiikkainen; Patrick Markt; Gerhard Wolber; Johannes Kirchmair; Simona Distinto; Antti Poso; Olli-P. Kallioniemi (J. Chem. Inf. Model., 2009)

Analysis of Commercial and Public Bioactivity Databases. - Pekka Tiikkainen; Lutz Franke (J. Chem. Inf. Model., 2012)

Estimating Error Rates in Bioactivity Databases. - Pekka Tiikkainen; Louisa J. Bellis; Yvonne Light; Lutz Franke (J. Chem. Inf. Model., 2013)

Learning conditional variational autoencoders with missing covariates. - Siddharth Ramchandran; Gleb Tikhonov; Otto Lönnroth; Pekka Tiikkainen; Harri Lähdesmäki (Pattern Recognit., 2024)