Research graph
References from Use of AI for analysis of biological and chemical databases for drug discovery. Local targets link to admitted publications; unresolved targets remain external evidence.
The role of statistical software in data analysis
2014 · External reference
A scoping review of artificial intelligence within pharmacy education
2024 · External reference
Comparison of artificial intelligence and human doctors for the purpose of triage and diagnosis
10.3389/frai.2020.543405 · 2020 · External reference
A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking
10.1093/bioinformatics/btq112 · 2010 · External reference
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data
10.1016/j.drudis.2020.11.037 · 2021 · External reference
10.5772/intechopen.1002179
10.5772/intechopen.1002179 · External reference
Network-based prediction of drug combinations
10.1038/s41467-019-09692-y · 2019 · External reference
Biopython: freely available Python tools for computational molecular biology and bioinformatics
10.1093/bioinformatics/btp163 · 2009 · External reference
MolGAN: an implicit generative model for small molecular graphs
2018 · External reference
Clinically applicable deep learning for diagnosis and referral in retinal disease
10.1038/s41591-018-0107-6 · 2018 · External reference
Predicting adverse drug reactions through interpretable deep learning framework
10.1186/s12859-018-2544-0 · 2018 · External reference
Non‐linear mapping for structure‐activity and structure‐property modelling
10.1002/cem.1180070402 · 1993 · External reference
Convolutional networks on graphs for learning molecular fingerprints
2015 · External reference
Evaluation of QSAR models for tissue-specific predictive toxicology and risk assessment of military-relevant chemical exposures: a systematic review
10.1016/j.comtox.2024.100329 · 2024 · External reference
Overview on techniques in cluster analysis
2009 · External reference
ChEBI in 2016: improved services and an expanding collection of metabolites
10.1093/nar/gkv1031 · 2016 · External reference
Descriptive statistics
10.4103/ijam.ijam_7_18 · 2018 · External reference
Machine learning and artificial intelligence in pharmaceutical research and development: a review
10.1208/s12248-021-00644-3 · 2022 · External reference
Rethinking drug repositioning and development with artificial intelligence, machine learning, and omics
10.1089/omi.2019.0151 · 2019 · External reference
Anti-cancer drug response prediction using neighbor-based collaborative filtering with global effect removal
10.1016/j.omtn.2018.09.011 · 2018 · External reference
Artificial intelligence in drug discovery and development
2024 · External reference
Modeling sample variables with an experimental factor ontology
10.1093/bioinformatics/btq099 · 2010 · External reference
An introduction to inferential statistics: a review and practical guide
10.1016/j.radi.2009.12.006 · 2011 · External reference
Artificial intelligence in pharmaceutical research and development
10.4155/fmc-2018-0158 · 2018 · External reference
Artificial intelligence in drug formulation and development: applications and future prospects
10.2174/0113892002265786230921062205 · 2023 · External reference
Open Babel: an open chemical toolbox
2011 · External reference
Unresolved reference
External reference
Scalable and accurate deep learning with electronic health records
10.1038/s41746-018-0029-1 · 2018 · External reference
A Perspective on Explainable Artificial Intelligence Methods: SHAP and LIME
10.1002/aisy.202400304 · 2025 · External reference
Toward interoperable bioscience data
10.1038/ng.1054 · 2012 · External reference
Introduction to probability, statistical methods, design of experiments and statistical quality control
2024 · External reference
Artificial intelligence and machine learning in drug discovery
2024 · External reference
Design and development of a relational database management system (RDBMS) with open source tools for the processing of data monitored in a set of photovoltaic (PV) plants
10.3390/app13031357 · 2023 · External reference
Comprehensive anticancer drug response prediction based on a simple cell line-drug complex network model
10.1186/s12859-019-2608-9 · 2019 · External reference
PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprints
10.1002/jcc.21707 · 2011 · External reference
Predicting drug-target interaction network using deep learning model
10.1016/j.compbiolchem.2019.03.016 · 2019 · External reference
HELM: a hierarchical notation language for complex biomolecule structure representation
10.1021/ci3001925 · 2012 · External reference
Samba: semantic segmentation of remotely sensed images with state space model
10.1016/j.heliyon.2024.e38495 · 2024 · External reference
A Perspective on Explainable Artificial Intelligence Methods: SHAP and LIME
10.1002/aisy.202400304 · ExternalCitation · doi-reference
Non‐linear mapping for structure‐activity and structure‐property modelling
10.1002/cem.1180070402 · ExternalCitation · doi-reference
PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprints
10.1002/jcc.21707 · ExternalCitation · doi-reference
Predicting drug-target interaction network using deep learning model
10.1016/j.compbiolchem.2019.03.016 · ExternalCitation · doi-reference
Evaluation of QSAR models for tissue-specific predictive toxicology and risk assessment of military-relevant chemical exposures: a systematic review
10.1016/j.comtox.2024.100329 · ExternalCitation · doi-reference
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data
10.1016/j.drudis.2020.11.037 · ExternalCitation · doi-reference
Samba: semantic segmentation of remotely sensed images with state space model
10.1016/j.heliyon.2024.e38495 · ExternalCitation · doi-reference
Anti-cancer drug response prediction using neighbor-based collaborative filtering with global effect removal
10.1016/j.omtn.2018.09.011 · ExternalCitation · doi-reference
An introduction to inferential statistics: a review and practical guide
10.1016/j.radi.2009.12.006 · ExternalCitation · doi-reference
HELM: a hierarchical notation language for complex biomolecule structure representation
10.1021/ci3001925 · ExternalCitation · doi-reference
Toward interoperable bioscience data
10.1038/ng.1054 · ExternalCitation · doi-reference
Network-based prediction of drug combinations
10.1038/s41467-019-09692-y · ExternalCitation · doi-reference
Clinically applicable deep learning for diagnosis and referral in retinal disease
10.1038/s41591-018-0107-6 · ExternalCitation · doi-reference
Scalable and accurate deep learning with electronic health records
10.1038/s41746-018-0029-1 · ExternalCitation · doi-reference
Rethinking drug repositioning and development with artificial intelligence, machine learning, and omics
10.1089/omi.2019.0151 · ExternalCitation · doi-reference
Biopython: freely available Python tools for computational molecular biology and bioinformatics
10.1093/bioinformatics/btp163 · ExternalCitation · doi-reference
Modeling sample variables with an experimental factor ontology
10.1093/bioinformatics/btq099 · ExternalCitation · doi-reference
A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking
10.1093/bioinformatics/btq112 · ExternalCitation · doi-reference
ChEBI in 2016: improved services and an expanding collection of metabolites
10.1093/nar/gkv1031 · ExternalCitation · doi-reference
Predicting adverse drug reactions through interpretable deep learning framework
10.1186/s12859-018-2544-0 · ExternalCitation · doi-reference
Comprehensive anticancer drug response prediction based on a simple cell line-drug complex network model
10.1186/s12859-019-2608-9 · ExternalCitation · doi-reference
Machine learning and artificial intelligence in pharmaceutical research and development: a review
10.1208/s12248-021-00644-3 · ExternalCitation · doi-reference
Artificial intelligence in drug formulation and development: applications and future prospects
10.2174/0113892002265786230921062205 · ExternalCitation · doi-reference
Comparison of artificial intelligence and human doctors for the purpose of triage and diagnosis
10.3389/frai.2020.543405 · ExternalCitation · doi-reference
Design and development of a relational database management system (RDBMS) with open source tools for the processing of data monitored in a set of photovoltaic (PV) plants
10.3390/app13031357 · ExternalCitation · doi-reference
Descriptive statistics
10.4103/ijam.ijam_7_18 · ExternalCitation · doi-reference
Artificial intelligence in pharmaceutical research and development
10.4155/fmc-2018-0158 · ExternalCitation · doi-reference
10.5772/intechopen.1002179
10.5772/intechopen.1002179 · ExternalCitation · doi-reference
