List of works - Pedro J. Ballester

A Stochastic Spiking Neural Network for Virtual Screening.

scientific article

A gentle introduction to understanding preclinical data for cancer pharmaco-omic modeling

scientific article published on 20 July 2021

Biochemical evaluation of virtual screening methods reveals a cell-active inhibitor of the cancer-promoting phosphatases of regenerating liver.

scientific article

Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity

scientific article published on 01 January 2019

Classical scoring functions for docking are unable to exploit large volumes of structural and interaction data

scientific article published on 01 October 2019

Comments on "leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets": significance for the validation of scoring functions.

scientific article published on 31 May 2011

Correcting the impact of docking pose generation error on binding affinity prediction.

scientific article

Drug repurposing for aging research using model organisms

scientific article published on 16 June 2017

Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification

scientific article published on 29 August 2012

How Reliable Are Ligand-Centric Methods for Target Fishing?

scientific article published on 14 April 2016

Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets

scientific article

Low-Quality Structural and Interaction Data Improves Binding Affinity Prediction via Random Forest.

scientific article

Machine Learning for Molecular Modelling in Drug Design

scientific article published on 04 June 2019

Machine learning prediction of cancer cell sensitivity to drugs based on genomic and chemical properties

scientific article

Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screening

scientific article

MolTarPred: A web tool for comprehensive target prediction with reliability estimation

scientific article published on 22 April 2019

Performance of machine-learning scoring functions in structure-based virtual screening

scientific article published on 25 April 2017

Precision and recall oncology: combining multiple gene mutations for improved identification of drug-sensitive tumours.

scientific article published on 15 September 2017

Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space

scientific article published on 19 June 2017

Prospective virtual screening for novel p53-MDM2 inhibitors using ultrafast shape recognition

scientific article published on 20 February 2014

Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case study

scientific article

Systematic assessment of multi-gene predictors of pan-cancer cell line sensitivity to drugs exploiting gene expression data.

scientific article

The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction.

scientific article published on 14 March 2018

USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques

scientific article

Ultrafast shape recognition to search compound databases for similar molecular shapes

scientific article

Ultrafast shape recognition: Evaluating a new ligand-based virtual screening technology

scientific article published on 14 January 2009

Ultrafast shape recognition: method and applications

scientific article

Unearthing new genomic markers of drug response by improved measurement of discriminative power.

scientific article published on 6 February 2018

istar: a web platform for large-scale protein-ligand docking

scientific article

List of works by Pedro J. Ballester

A Stochastic Spiking Neural Network for Virtual Screening.

A gentle introduction to understanding preclinical data for cancer pharmaco-omic modeling

Biochemical evaluation of virtual screening methods reveals a cell-active inhibitor of the cancer-promoting phosphatases of regenerating liver.

Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity

Classical scoring functions for docking are unable to exploit large volumes of structural and interaction data

Comments on "leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets": significance for the validation of scoring functions.

Correcting the impact of docking pose generation error on binding affinity prediction.

Drug repurposing for aging research using model organisms

Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification

How Reliable Are Ligand-Centric Methods for Target Fishing?

Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets

Low-Quality Structural and Interaction Data Improves Binding Affinity Prediction via Random Forest.

Machine Learning for Molecular Modelling in Drug Design

Machine learning prediction of cancer cell sensitivity to drugs based on genomic and chemical properties

Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screening

MolTarPred: A web tool for comprehensive target prediction with reliability estimation

Performance of machine-learning scoring functions in structure-based virtual screening

Precision and recall oncology: combining multiple gene mutations for improved identification of drug-sensitive tumours.

Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space

Prospective virtual screening for novel p53-MDM2 inhibitors using ultrafast shape recognition

Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case study

Systematic assessment of multi-gene predictors of pan-cancer cell line sensitivity to drugs exploiting gene expression data.

The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction.

USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques

Ultrafast shape recognition to search compound databases for similar molecular shapes

Ultrafast shape recognition: Evaluating a new ligand-based virtual screening technology

Ultrafast shape recognition: method and applications

Unearthing new genomic markers of drug response by improved measurement of discriminative power.

istar: a web platform for large-scale protein-ligand docking