In crop-protection discovery, a useful screening library should provide relevant chemical starting points without being limited to the closest structural analogs. The Chemspace Agro-like Library is built around known pesticide active ingredients and extends their analog space using complementary similarity-based search methods. The result is a collection of real, in-stock compounds selected for experimental screening and available for flexible, project-specific testing.
Built around known pesticide active ingredients, the library focuses screening on chemical space directly related to established crop-protection chemistry.
Complementary search methods capture close structural analogs as well as less obvious candidates with related molecular features and physicochemical properties.
All compounds are selected from the Chemspace in-stock catalog and are available for direct ordering and experimental testing.
The extended collection can be cherry-picked by pesticide class or project scope to match the needs of a specific screening program.
Chemspace Agro-like Library for Crop Protection Screening
Chemspace Agro-like Library is an in-stock collection of analogs of known pesticide active ingredients for primary screening in crop-protection research. The library was built using a reference set of known pesticide active ingredients and complementary analog-search methods that capture both close structural similarity and broader similarity in molecular features and physicochemical properties. Compounds were selected from the Chemspace in-stock catalog using knowledge-based compound selection and filtering. Biological activity is not inferred from library inclusion and must be established experimentally.
The library is a single collection supplied in two selections, built by the same protocol. The pre-plated selection is a representative subset of the extended one: 5,056 of its 5,084 compounds (99.4%) are also present in the extended selection.
| Pre-plated Agro-like Library | Extended Agro-like Library | |
|---|---|---|
| Compounds | 5,084 | 101,938 |
| Format | 10 mM DMSO solutions, plated | Solids or DMSO solutions |
| Ordering | Full set | Full set or cherry-picked selection |
| Lead time | 4-5 weeks including delivery | 5-8 weeks depending on selection size |
| File formats | SDF (SMILES, ID, pesticide class reference) | SDF (SMILES, ID, pesticide class reference) |
The reference set covers seven pesticide classes:
- Herbicides
- Insecticides
- Fungicides
- Acaricides
- Bactericides
- Plant growth inhibitors
- Rodenticides and repellents
Class-focused cherry-picking from the extended library is available on request.
How the Library Was Built
The library was designed to explore a broader analog space around known pesticides while maintaining relevance to crop-protection chemistry. The workflow below shows how candidate compounds were selected for the final collections.
Physicochemical Profile of the Extended Agro-like Library
The library broadly overlaps the physicochemical space of the reference set across molecular weight, cLogP and Fsp3. That balance keeps the property profile relevant to crop-protection screening while adding structural diversity for hit discovery.
For a compound list, a class-specific selection or a quotation, contact [email protected]
Need to cover a wider analog space? Explore a 5M agro-focused subset selected from Freedom Space 5.0