List of works - Floriane Montanari

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

scientific article (publication date: April 2016)

A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven p<i>K</i><sub>a</sub> Predictions in Proteins

scientific article published on 15 July 2022

BCRP Inhibition: from Data Collection to Ligand-Based Modeling

scientific article

Bayer's in silico ADMET platform: a journey of machine learning over the past two decades

scientific article published on 09 July 2020

Differences in the number of intrinsically disordered regions between yeast duplicated proteins, and their relationship with functional divergence

scientific article

Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space

Efficient multi-objective molecular optimization in a continuous latent space

scientific article published on 08 July 2019

Exploiting open data: a new era in pharmacoinformatics

scientific article

Flagging Drugs That Inhibit the Bile Salt Export Pump

scientific article

How Open Data Shapes In Silico Transporter Modeling

scientific article

Img2Mol – accurate SMILES recognition from molecular graphical depictions

scientific article published in January 2021

Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project

scientific article published on 11 June 2015

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations

article

Modeling Physico-Chemical ADMET Endpoints With Multitask Graph Convolutional Networks

Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks

scientific article published on 21 December 2019

Predicting drug-induced liver injury: The importance of data curation

scientific article published on 23 June 2017

Prediction of drug-ABC-transporter interaction--Recent advances and future challenges.

scientific article published on 11 March 2015

Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning

scientific article (publication date: 2016)

Subtle Structural Differences Trigger Inhibitory Activity of Propafenone Analogues at the Two Polyspecific ABC Transporters: P-Glycoprotein (P-gp) and Breast Cancer Resistance Protein (BCRP).

scientific article published on 10 March 2016

The ABC of Phytohormone Translocation.

scientific article published on 23 April 2015

Vienna LiverTox Workspace-A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for Regulatory Agencies

scientific article published on 01 January 2019

Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors

Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria

scientific article published on 17 July 2017

List of works by Floriane Montanari

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven p<i>K</i><sub>a</sub> Predictions in Proteins

BCRP Inhibition: from Data Collection to Ligand-Based Modeling

Bayer's in silico ADMET platform: a journey of machine learning over the past two decades

Differences in the number of intrinsically disordered regions between yeast duplicated proteins, and their relationship with functional divergence

Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space

Efficient multi-objective molecular optimization in a continuous latent space

Exploiting open data: a new era in pharmacoinformatics

Flagging Drugs That Inhibit the Bile Salt Export Pump

How Open Data Shapes In Silico Transporter Modeling

Img2Mol – accurate SMILES recognition from molecular graphical depictions

Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations

Modeling Physico-Chemical ADMET Endpoints With Multitask Graph Convolutional Networks

Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks

Predicting drug-induced liver injury: The importance of data curation

Prediction of drug-ABC-transporter interaction--Recent advances and future challenges.

Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning

Subtle Structural Differences Trigger Inhibitory Activity of Propafenone Analogues at the Two Polyspecific ABC Transporters: P-Glycoprotein (P-gp) and Breast Cancer Resistance Protein (BCRP).

The ABC of Phytohormone Translocation.

Vienna LiverTox Workspace-A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for Regulatory Agencies

Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors

Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria