The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
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Dec 12, 2022 - Python
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logp
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A multi-scale computational suite for macroscopic thermodynamic phase modeling and extraction evaluation
extraction computational-chemistry thermodynamics solubility des orca phase-diagram sle activity-coefficients logp cosmo-rs deep-eutectic-solvents solid-liquid-equilibrium opencosmo-rs orcacosmo sigma-profile partition-coefficient free-energy-of-transfer
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May 21, 2026 - Python
A new logP predictor method using GSG and NNs
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Oct 12, 2023 - Python
A machine learning-based prediction platform for pharmaceutical molecular properties, supporting LogP prediction and ADMET-related property modeling. Built with Python, scikit-learn, and deep learning models, deployed on Linux servers for efficient data processing and model training. Designed to assist computer-aided drug design and virtual screen.
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Mar 16, 2026 - Python
LogP prediction using deep learning
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Jun 25, 2023 - Python
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