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ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness

artículo científico publicado en 2018

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping

artículo científico publicado en 2018

Comparison of Cellular Morphological Descriptors and Molecular Fingerprints for the Prediction of Cytotoxicity- and Proliferation-Related Assays

artículo científico publicado en 2021

Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery

artículo científico publicado en 2020

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

scientific article published on 10 January 2019

Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark.

artículo científico publicado en 2017

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods.

artículo científico publicado en 2017

In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models

scientific article published on 11 March 2019

In Silico Prediction of Human Renal Clearance of Compounds Using Quantitative Structure-Pharmacokinetic Relationship Models

scientific article published on 28 January 2020

In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning

scientific article published on 25 January 2019

In silico prediction of chemical reproductive toxicity using machine learning

artículo científico publicado en 2019

Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods

scientific article published on 21 May 2018

PAX2GRAPHML: a python library for large-scale regulation network analysis using BioPAX

artículo científico publicado en 2021

Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods

scientific article published on 08 November 2018

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