Toward quantitative models in safety assessment: a case study to show impact of dose–response inference on hERG inhibition models

F Melnikov, LT Anger, C Hasselgren - International Journal of Molecular …, 2022 - mdpi.com
Due to challenges with historical data and the diversity of assay formats, in silico models for
safety-related endpoints are often based on discretized data instead of the data on a natural …

Advances in the Application of In Silico ADMET Models–An Industry Perspective

W Wang, F Melnikov, J Napoli… - … Drug Discovery: Methods …, 2024 - Wiley Online Library
Small molecule drug discovery involves extensive evaluation of potencies, molecular
physicochemical properties, and pharmacokinetic (PK) properties related to absorption …