In drug design, computational scientists developed artificially intelligent methods well before ChatGPT.
Indeed, IntelDrug can innovate your discovery using AI/ML, NPL, designing colorally data pipelines, data mining, Alphafold, 4D QSAR, and more.
We are very passionate about innovation too.
Integration of cutting-edge technology
Predicting ADMET and PKPD with confidence
IntelDrug's computational toxicology expertise goes beyond simple ADME prediction.
Access to over 500 tox data repositories, analysis of reactive metabolites, 16 adverse effect proteins, tox potential index, PK/PD correlation, dose range finding... to cite few.
Let us know if you need a consultancy in special areas:
Natural substances and botanical mixtures
Flavors and taste properties (organoleptic)
Inhalable drug research and medical devices
Radioactive drugs and biomarkers (anticancer)
Nutraceuticals, vet- or agrochemicals
Complex matrix analytical characterization
Healthtech and personalized healthcare
Packages: MOE, BioVia, ACD/Labs, Schrodinger, Chemaxon, BioSolveIt, OpenEye
Databases: ChEMBL, Toxnet, ACToR, PubChem, Reactome, HMDB, ChemBank, DrugBank
Toxicity: Lhasa, VEGA, TEST, Leadscope, ECHA, Cosmos, FooDB, VirtualTox
Toolbox: OpenBabel, QSAR Toolbox, PP, Knime
Simulations: MOE, Schrodinger, MOPAC, Gromos, CHARMM, Amber
Ligand QSAR: ChemOffice, MOEsaic, Chemaxon, DataWarrior
Networks, Pathways: Cytoscape, GGobi, Noe4j, KEGG,
Flavors: EFSA, The Good Scents Co, Leffingwell, SuperScent, Flavornet, FEMA
Patents: Espacenet, Chembl patents, WHO, Patent Lens, Google patents
Molecular Design Approaches
Screening: docking, pharmacophore, PLIF, induced fit, water, tautomerism
Target: SwissTarget, target hunting, MDS, MOA, homology, hot spots
Parameters: 2D and 3D descriptors, phys-chem properties
Lead optimization: golden triangle, sweet spot, biosimilars mapping, drug-like
AI/ML: QSAR, ML-QSAR
Pharmacology: metabolites, ADME, metabolites prediction, toxicity prediction, PKPD
Analytical chemistry processes (GC/LC-MS), bioinformatics, radiology
Databases SQL: PostgreSQL, Oracle, SQL Server
Databases NoSQL: Neo4J, MongoDB, ArangoDB
Websites: Angular, React, VainillaJS, VueJS
Desktop programming: C#, Java, Python
Infrastructure: On-premises, Cloud, Dockers, microservices, web services
Improvements of existing applications: CxP and non-GxP, data ingestion processes (ETL)
Agile PM: Scrum, Kanban, JIRA, Monday, Trello, Slack, Motion AI