EffectiLator Dataset

Figshare 2026 Dataset Open access

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Authors: DIMITRIOS ANASTASIOU
DOI: 10.6084/m9.figshare.31342483
Cited by: 0

Abstract

This document provides the complete workflow for running the EffectiLator framework manually. It covers diagnostics, training the α-model, and generating validation predictions, using the effective-volume formulation, VR-bounded mechanistic curves, and ±15% α-tolerance. More in the README file.

Fields of Study & Subjects

Machine Learning in Materials Science Computational Drug Discovery Methods Neural Networks and Applications

Publication details

Journal / source
Figshare
Publication date
1 January 2026
Language
EN
Document type
Dataset