CADD SERVICES FOR YOUR DRUG DISCOVERY PROJECT
ChemDiv’s CADD team can help accelerate the early stages of your drug discovery project.
| BREAKING WORLD PHARMA NEWS |
| CADD SERVICES |
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| ChemDiv’s CADD team can help accelerate the early stages of your drug discovery project. Experienced scientists with background in molecular modeling, data mining, and cheminformatics work closely with medicinal chemists and biologists. We provide a number of sophisticated computational services as a part of larger integrated projects or as stand-alone in silico services: • Structure Based - Docking, Molecular Dynamic • Ligand Based - Similarity, Pharmacophore models • Virtual Screening - HTS support, focused libraries design • Hit2lead optimization - ADME optimization, scaffold hopping • and other |
| Why work with us? |
| • Broad industrial experience in in silico drug design • Immediate access to the world's largest diverse library of small molecules ready for biological trials • World-class software and hardware equipment • Solid scientific expertise in fields of medicinal chemistry and cheminformatics |
| Software |
| • Molsoft ICM Pro – Molecular docking, ligand binding sites identification, etc. • Cresset Flare and Forge – Structure and ligand-based design • Autodock4, Autodock Vina (Scripps) – Molecular docking • ChemoSoft (ChemDiv) – 2D similarity, combinatorial chemistry • Knime – Workflows for ETL and data preparation tasks • Rdkit (Python), Open Babel – Custom cheminformatics solutions • CPython, DataWarrior – Chemical space visualization • Gromacs – Molecular dynamics simulations |
| DOWNLOAD COMPLETE DATABASE OF 1.6 M STOCK COLLECTION COMPOUNDS AND 60,000 BUILDING BLOCKS |
| SEARCH AND ORDER ONLINE: |
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| FOCUSED, TARGETED, ANNOTATED, DIVERSE LIBRARIES FROM CHEMDIV |
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| OUR MOST POPULAR SCREENING LIBRARIES |
| In addition to our newest compound collections, please take a look at our most popular libraries: |
| 3D-Pharmacophore Based Diversity Library (52,000 compounds) | Structures |
| 300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (300,000 compounds) | Structures |
| Representative Diversity Libraries (50,000; 100,000; 150,000 compounds) | Structures |
| MCE-18 Trends in Medicinal Chemistry (50,000 Compounds) | Structures |
| SmartTM Library (54,000 compounds) | Structures |
| 3D-Diversity Natural-Product-Like Library (21,000 compounds) | Structures |
| Targeted Diversity Library (45,000 compounds) | Structures |
| Soluble Diversity Library (9,500 compounds) | Structures |
| We will be happy to hear your requests, comments or questions at chemdiv@chemdiv.com |
| DRUG DISCOVERY SOLUTIONS |
| > High Throughput Screening Services (HTS assay set-up, validation and screening) | Click Here |
| > Synthetic and Medicinal Chemistry Services (Hit-to-Lead Optimization, Lead-optimization or Custom library synthesis) | Click Here |
| > Computational Chemistry Services (Scaffold Hopping, AI-assisted target deconvolution, QSAR Modeling & other services) | Click Here |
| > Compound Profiling (ADME, PK, TOX & other assays) | Click Here |
| We will be happy to hear your requests, comments or questions at sb@chemdiv.com or chemdiv@chemdiv.com |
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