Spjuth, Ola

Towards reproducible computational drug discovery

Schaduangrat, N., Lampa, S., Simeon, S., Gleeson, M. P., Spjuth, O., & Nantasenamat, C. (2020) · Journal of Cheminformatics

Scientific Computing and Data ManagementComputational Drug Discovery Methods

Cited by 208

Predicting With Confidence: Using Conformal Prediction in Drug Discovery

Alvarsson, J., Arvidsson McShane, S., Norinder, U., & Spjuth, O. (2021) · Journal of Pharmaceutical Sciences

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 116

Estimating diagnostic uncertainty in artificial intelligence assisted pathology using conformal prediction

Olsson, H., Kartasalo, K., Mulliqi, N., Capuccini, M., Ruusuvuori, P., Samaratunga, H., Delahunt, B., Lindskog, C., Janssen, E. A. M., Blilie, A., et al. (2022) · Nature Communications

AI in cancer detectionArtificial Intelligence in Healthcare and Education

Cited by 111

The machine learning life cycle and the cloud: implications for drug discovery

Spjuth, O., Frid, J., & Hellander, A. (2021) · Expert Opinion on Drug Discovery

Computational Drug Discovery MethodsScientific Computing and Data Management

Cited by 67

New approach methods to assess developmental and adult neurotoxicity for regulatory use: a PARC work package 5 project

Tal, T., Myhre, O., Fritsche, E., Rüegg, J., Craenen, K., Aiello-Holden, K., Agrillo, C., Babin, P. J., Escher, B. I., Dirven, H., et al. (2024) · Frontiers in Toxicology

Animal testing and alternativesImmunotoxicology and immune responses

Cited by 58

A Unified Proteochemometric Model for Prediction of Inhibition of Cytochrome P450 Isoforms

Lapins, M., Worachartcheewan, A., Spjuth, O., Georgiev, V., Prachayasittikul, V., Nantasenamat, C., & Wikberg, J. E. S. (2013) · PLoS ONE

Computational Drug Discovery MethodsPharmacogenetics and Drug Metabolism

Cited by 46

Precise mapping of single-stranded DNA breaks by using an engineered, error-prone DNA polymerase for sequence-templated erroneous end-labelling

Söderberg, O., Wenson, L., Heldin, J., Martin, M., Erbilgin, Y., Salman, B., Schaal, W., Sandbaumhüter, F., Jansson, E., Chen, X., et al. (2024) · Nature Communications

DNA Repair MechanismsCarcinogens and Genotoxicity Assessment

Cited by 1

AI Agents in Drug Discovery

Seal, S., Huynh, D. L., Chelbi, M., Khosravi, S., Kumar, A., Thieme, M., Wilks, I., Davies, M., Mustali, J., Sun, Y., et al. (2025) · arXiv

Computational Drug Discovery MethodsArtificial Intelligence in Healthcare and Education

Cited by 1

Precise mapping of single-stranded DNA breaks by sequence-templated erroneous DNA polymerase end-labelling

Wenson, L., Heldin, J., Martin, M., Erbilgin, Y., Salman, B., Sundqvist, A., Schaal, W., Sandbaumhüter, F. A., Jansson, E. T., Chen, X., et al. (2025) · Nature Communications

DNA Repair MechanismsCarcinogens and Genotoxicity Assessment

Cited by 1