DrugBank: a comprehensive resource for in silico drug discovery and exploration

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

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The KEGG resource for deciphering the genome

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The Universal Protein Resource (UniProt)

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TTD: Therapeutic Target Database

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The CyberCell Database (CCDB): a comprehensive, self-updating, relational database to coordinate and facilitate in silico modeling of Escherichia coli

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The European Bioinformatics Institute's data resources: towards systems biology

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Quality of consumer drug information provided by four Web sites

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Functional mapping and annotation of genetic associations with FUMA

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A Survey on Knowledge Graphs: Representation, Acquisition, and Applications

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A comprehensive map of molecular drug targets

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Drug target identification using side-effect similarity

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Understanding multicellular function and disease with human tissue-specific networks

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Trends in the exploitation of novel drug targets

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SuperTarget and Matador: resources for exploring drug-target relationships

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Metabolomics: A Primer

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General approach for the calculation of tissue to plasma partition coefficients

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Binding MOAD (Mother Of All Databases)

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Open PHACTS: semantic interoperability for drug discovery

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Chemistries of bifunctional PROTAC degraders

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Influenza Virus-Host Interactome Screen as a Platform for Antiviral Drug Development

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Empowering biomedical discovery with AI agents

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Information retrieval and text mining technologies for chemistry

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Genomic atlas of the proteome from brain, CSF and plasma prioritizes proteins implicated in neurological disorders

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The Druggable Genome: Evaluation of Drug Targets in Clinical Trials Suggests Major Shifts in Molecular Class and Indication

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On the Integration of In Silico Drug Design Methods for Drug Repurposing

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Review and analysis of FDA approved drugs using lipid-based formulations

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eToxPred: a machine learning-based approach to estimate the toxicity of drug candidates

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Potential aggregation prone regions in biotherapeutics: A survey of commercial monoclonal antibodies

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Rare variant associations with plasma protein levels in the UK Biobank

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PepBank - a database of peptides based on sequence text mining and public peptide data sources.

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ECMDB: the E-coli Metabolome Database

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A survey of large language models for healthcare: from data, technology, and applications to accountability and ethics

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PharmGKB summary: very important pharmacogene information for N-acetyltransferase 2

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Efficient Parameter Estimation Enables the Prediction of Drug Response Using a Mechanistic Pan-Cancer Pathway Model

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Clinical Perspective of FDA Approved Drugs With P-Glycoprotein Inhibition Activities for Potential Cancer Therapeutics

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Exploration of databases and methods supporting drug repurposing: a comprehensive survey

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Comprehensive prediction of drug-protein interactions and side effects for the human proteome

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Drug databases and their contributions to drug repurposing

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Simulating drug concentrations in PDMS microfluidic organ chips

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Deficiency of TYROBP, an adapter protein for TREM2 and CR3 receptors, is neuroprotective in a mouse model of early Alzheimer’s pathology

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Quantum computing for near-term applications in generative chemistry and drug discovery.

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DrugCentral 2023 extends human clinical data and integrates veterinary drugs

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DeepCPI: A Deep Learning-Based Framework for Large-Scale <i>in Silico</i> Drug Screening

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Multi-omics-based identification of SARS-CoV-2 infection biology and candidate drugs against COVID-19

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An integrative machine learning approach for prediction of toxicity-related drug safety

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Integrating biomedical research and electronic health records to create knowledge-based biologically meaningful machine-readable embeddings

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Artificial intelligence for drug discovery and development in Alzheimer's disease

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Study of serious adverse drug reactions using FDA-approved drug labeling and MedDRA

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ToxiM: A Toxicity Prediction Tool for Small Molecules Developed Using Machine Learning and Chemoinformatics Approaches

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Targeted scoring functions for virtual screening.

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Life Beyond Kinases: Structure-Based Discovery of Sorafenib as Nanomolar Antagonist of 5-HT Receptors

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A Survey of Large Language Models for Healthcare: From Data, Technology, and Applications to Accountability and Ethics

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High-content phenotypic and pathway profiling to advance drug discovery in diseases of unmet need

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Human metabolic network reconstruction and its impact on drug discovery and development

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Significance of Metabolites in the Environmental Risk Assessment of Pharmaceuticals Consumed by Human

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Revolutionizing <scp>peptide‐based</scp> drug discovery: Advances in the <scp>post‐AlphaFold</scp> era

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Humanization of antibodies using a statistical inference approach

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Essential Medicinal Chemistry of Essential Medicines

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FINDSITE^comb2.0: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules

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MEDICASCY: A Machine Learning Approach for Predicting Small-Molecule Drug Side Effects, Indications, Efficacy, and Modes of Action

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FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening

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Are there physicochemical differences between allosteric and competitive ligands?

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D-SPIN constructs gene regulatory network models from multiplexed scRNA-seq data revealing organizing principles of cellular perturbation response

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Therapeutic Targeting the Allosteric Cysteinome of RAS and Kinase Families

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Identification of targeted therapy options for gastric adenocarcinoma by comprehensive analysis of genomic data

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TNG260 Is a Small-Molecule CoREST Inhibitor That Sensitizes <i>STK11</i> -Mutant Tumors to Anti–PD-1 Immunotherapy

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Using Chemical-Induced Gene Expression in Cultured Human Cells to Predict Chemical Toxicity

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Structure–Activity Databases for Medicinal Chemistry

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Abstract 4643: Drug-Target Explorer: An interactive tool for examining chemical-biological interactions

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Comparing the Chemical Structure and Protein Content of ChEMBL, DrugBank, Human Metabolome Database and the Therapeutic Target Database

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Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking

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Internet Resources for Drug Discovery and Design

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