MoleMate™ — A Unified Chemometric Platform for Chemical Intelligence

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MoleMate™ is an integrated chemometric environment designed to transform dispersed chemical data into structured, reliable, and actionable knowledge. By connecting molecular structure, properties, safety, spectroscopy, and similarity analysis, MoleMate™ provides chemists with a single, coherent entry point to chemical intelligence.

MoleMate™ Finger-Print — Instant Molecular Identification & Safety Intelligence

MoleMate™ Finger-Print is the core identification and information module of the platform. It enables instant recognition of chemical compounds from CID numbers, names, SMILES, MOL/SDF files, or hand-drawn structures, automatically retrieving validated data from trusted chemical databases. The module consolidates molecular identity, synonyms, regulatory identifiers, physicochemical properties, hazard classifications, toxicological indicators, and available spectroscopic references into a single, readable interface. By eliminating fragmented database navigation, OrganoMate™ Finger-Print supports confident compound identification, rapid safety evaluation, and informed regulatory awareness in research, laboratory practice, and education.

MoleMate™ Draw — From Molecular Sketch to Scientific Insight

MoleMate™ Draw transforms molecular drawing into a powerful exploratory and analytical experience. Users can create, modify, and import chemical structures directly in the browser and immediately search them against large chemical databases. Beyond drawing, the module offers interactive 2D and 3D visualization and advanced mapping of atomic and molecular properties such as charge distribution, electronegativity, hydrophobicity, electrostatic potential, and reactivity. MoleMate™ Draw bridges intuition and data, enabling chemists to explore structure–property relationships, support molecular reasoning, and visualize chemistry in a way that is both intuitive and scientifically rigorous.

MoleMate™ Spectrum — Understanding Spectra Through Structure

MoleMate™ Spectrum connects molecular structure to analytical behavior by simulating key spectroscopic techniques directly from the chemical model. The module provides predictive IR, ¹H NMR, ¹³C NMR, and mass spectra, allowing users to understand how functional groups and molecular frameworks translate into spectral signatures. By linking structure and spectroscopy, MoleMate™ Spectrum supports spectral interpretation, structure confirmation, analytical training, and education, making spectroscopy more accessible and conceptually connected to molecular design.

MoleMate™ ChemioInfo — Exploring Chemical Space with Chemometrics

MoleMate™ ChemioInfo applies chemometric intelligence to molecular comparison and exploration. It converts chemical structures into numerical descriptors and uses similarity metrics and multivariate analysis to position molecules within chemical space. By clustering compounds according to structural and physicochemical similarity, the module enables the identification of analogs, substitutes, and property-driven relationships. MoleMate™ ChemioInfo supports rational decision-making in research, innovation, and sustainability-focused applications, helping users move beyond individual molecules toward a global understanding of chemical landscapes.