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CADD SERVICES FOR YOUR DRUG DISCOVERY PROJECT

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

December 17, 2020 / Blog
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