Tagged pharma

Search ChEMBL and check drug-likeness and interactions for candidate molecules

Build molecular property models with DeepChem for toxicity, solubility and ADMET

Analyze DepMap cancer dependency data for gene effects, biomarkers and drug sensitivity

Triage compound libraries with drug-likeness rules, PAINS alerts and complexity filters

Model drug exposure with PK, PD and population analyses and first-in-human doses

Query the PrimeKG knowledge graph for gene, drug and disease associations

Check drug safety after asking about your symptoms and medicines

Predict solubility, permeability and logD for small molecules from SMILES strings

Screen and rank a small-molecule library against a target, with ADME scores

Query ChEMBL for bioactivity, molecules, targets and drug mechanisms

Query EpiGraphDB for ontology, Mendelian randomization and gene-drug evidence

Query Open Targets for target, disease and drug evidence in concise form

Look up PharmGKB gene-drug annotations, variants and dosing guidelines

Predict drug ADMET properties like hERG, clearance and Lipinski with RDKit

Map ADMET liabilities to structural causes and biological pathways

Query ClinPGx pharmacogenomics for gene-drug interactions and CPIC dosing guidance

Generate drug-like molecules with scaffold growing and multi-objective filters

Query DepMap for cancer cell line gene dependency and drug sensitivity scores

Chain structure prediction, docking, design and ADMET into one drug pipeline

Look up DrugBank drug properties, targets, interactions and pharmacology data

Query openFDA for drug, device and adverse event data and recall records

Balance several ADMET properties at once in Pareto-aware molecular design

Analyze Western blots, xenograft tumor growth and Arrhenius stability data

Query the PrimeKG knowledge graph linking genes, drugs, diseases and phenotypes

Load Therapeutics Data Commons datasets and benchmarks for drug ML

Run an end-to-end drug discovery pipeline with BioNeMo NIM microservices

Generate drug-like molecules and optimize leads with the GenMol NIM

Run KEGG pathway enrichment, drug-target and metabolic network analysis

Query ChEMBL for bioactive compounds, drug targets and IC50 data

Search ClinicalTrials.gov by condition, drug, location and phase

Query openFDA for drug adverse events, recalls, labels and approvals

Find drug targets and disease links with Open Targets evidence data

Look up measured drug target binding affinities in BindingDB by target or compound

Predict ADMET properties and toxicity endpoints to filter drug candidates

Look up drug gene interactions and dosing guidelines in PharmGKB and CPIC

Compute RDKit fingerprints, Lipinski properties and QED drug-likeness scores

Search PubMed, preprints, clinical trials and FDA drug labels in one query

Run multi step biomedical research tasks across genomics and drug discovery

Search ChEMBL for compounds, bioactivity values and SAR data for drug discovery

Train molecular machine learning models for ADMET and toxicity with DeepChem

Search FDA drug labels for indications, dosing and safety information

Search DrugBank for drug mechanisms, interactions and safety data

Query ChEMBL, PubMed, ClinicalTrials.gov and OpenTargets for drug repurposing research

Explain addiction recovery treatments like CBT, DBT, MI and MAT with coping tools

Search Open Targets for drug-disease associations and target validation evidence

Detect drug safety signals in FDA FAERS reports with PRR, ROR and IC scores

Find small molecule binders for a protein target with docking and ADMET profiles

Predict chemical toxicity for AMES, DILI and LD50 with safety label data

Analyze pooled CRISPR screens with MAGeCK and BAGEL to find essential genes