Neann Mathai

Similarity-Based Methods and Machine Learning Approaches for Target Prediction in Early Drug Discovery: Performance and Scope

Johannes Kirchmair, Neann Mathai, J. Kirchmair, 2020, International journal of molecular sciences.

Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands

Ya Chen, Johannes Kirchmair, Neann Mathai, 2020, J. Chem. Inf. Model..

Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop

Tilmann Weber, José L. Medina-Franco, Justin J. J. van der Hooft, 2021, Journal of Cheminformatics.

Computational prediction of frequent hitters in target-based and cell-based assays

Johannes Kirchmair, Conrad Stork, Neann Mathai, 2021 .