Extended connectivity interaction features: improving binding affinity prediction through chemical description

N Sánchez-Cruz, JL Medina-Franco, J Mestres… - …, 2021 - academic.oup.com
Motivation Machine-learning scoring functions (SFs) have been found to outperform
standard SFs for binding affinity prediction of protein–ligand complexes. A plethora of …

Extended connectivity interaction features: improving binding affinity prediction through chemical description

N Sánchez-Cruz, JL Medina-Franco, J Mestres, X Barril - Bioinformatics, 2020 - cir.nii.ac.jp
抄録< jats: title> Abstract</jats: title>< jats: sec>< jats: title> Motivation</jats: title>< jats: p>
Machine-learning scoring functions (SFs) have been found to outperform standard SFs for …

Extended connectivity interaction features: improving binding affinity prediction through chemical description.

N Sánchez-Cruz, JL Medina-Franco… - …, 2021 - search.ebscohost.com
Motivation Machine-learning scoring functions (SFs) have been found to outperform
standard SFs for binding affinity prediction of protein–ligand complexes. A plethora of …

Extended connectivity interaction features: improving binding affinity prediction through chemical description

N Sánchez-Cruz, JL Medina-Franco… - Bioinformatics …, 2021 - pubmed.ncbi.nlm.nih.gov
Motivation Machine-learning scoring functions (SFs) have been found to outperform
standard SFs for binding affinity prediction of protein-ligand complexes. A plethora of reports …

Extended connectivity interaction features: improving binding affinity prediction through chemical description

N Sánchez-Cruz, JL Medina-Franco, J Mestres… - …, 2021 - academic.oup.com
Motivation Machine-learning scoring functions (SFs) have been found to outperform
standard SFs for binding affinity prediction of protein–ligand complexes. A plethora of …

Extended connectivity interaction features: improving binding affinity prediction through chemical description.

N Sánchez-Cruz, JL Medina-Franco… - Bioinformatics (Oxford …, 2021 - europepmc.org
Results Herein, we introduce Extended Connectivity Interaction Features (ECIF) to describe
protein-ligand complexes and build machine-learning SFs with improved predictions of …