Compound clustering and MCS extraction tool 'JKlustor'
Clustering and diversity analysis. Comparison of libraries based on descriptors and more is possible!
"JKlustor" is a component for clustering and diversity analysis. It allows for clustering, diversity calculations, molecular fingerprints, comparisons of libraries based on common substructures, descriptors, and more. It can be used in situations where analysis of combinatorial chemistry, drug design, and other compound libraries is required. 【Features】 ■ Enables comparison of libraries based on clustering, descriptors, etc. ■ Can be used in situations where analysis of compound libraries is necessary ■ Options can be selected regarding clustering methods and optimization of calculations *For more details, please refer to the related links or feel free to contact us.
- Company:パトコア
- Price:Other