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Chemaxon Discovery Toolkit

Cheminformatics tools for drug discovery

Discovery Toolkit

The process of drug discovery is weighed down by uncertainty at every point, further escalated by fragmented and often incomplete data.

The Discovery Toolkit provides you with top notch chemical intelligence including all our toolkit bundles; all calculators, predictors and structure preparation tools through all available programmatic interfaces for easy integration. Minimize uncertainty in drug discovery and other research domains supported by cheminformatics with our industry-standard scientific accuracy.

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Discovery Toolkit gives you

Reliable results

Avoid the inaccuracy of in-silico data leading you to dead end candidates.

Discovery Toolkit provides you with reliable scientific calculations and predictions built by scientists for scientists, trusted by the biggest pharmaceutical companies.

Technical versatility

Regardless of the technical environment, you need the same reliable calculations to progress.

Discovery Toolkit provides you with a well-maintained REST API, Python API, Java API and command line interface to make sure you can work in any environment.

Stable foundation

You can’t afford your tools breaking down due to unreliable updates.

Discovery Toolkit is watched over by a team of experts to make sure its scientific accuracy remains the industry standard and delivers a stable technical foundation you can build on.

Toolkit Offerings

Tools	Discovery Toolkit	wdt_ID	Descriptor Generation Toolkit	Structure Preparation Toolkit	Structure Enumeration Toolkit	Naming Toolkit
hERG Inhibition		1
Elemental Analysis		2
Partitioning		3
Solubility		4
NMR Predictor		6
Structural Calculations		8
Isomers		9
Protonation		10
Standardizer		11
Structure Checker		12
Reactor		13
Markush Enumeration		14
Chemical name and structure conversion		15

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Workflow-Specific Toolkits

Our workflow-specific offerings are designed to serve your needs with a targeted subset of tools bundled together.

With Discovery Toolkit, your data is secure

サターラは、情報セキュリティマネジメントシステム（ISMS）について、ISO 27001認証を取得しています。当社は、強固なセキュリティ対策を実施し、厳格なリスク評価を行い、継続的に改善に努めています。Discovery Toolkit ensures full compliance with global data protection standards, offering peace of mind for sensitive analysis.

Trust Centerの詳細はこちら

サターラが選ばれる理由

サターラは、研究者がデータに基づく意思決定を行うことを可能にする最先端のソリューションを提供し、創薬のタイムラインを加速し、成果の向上に貢献しています。

初期創薬は、サターラの中核となる専門領域であり、この領域で豊富な実績と高い評価を持つエキスパートチームが支えています。
さらに、創薬に携わる活発なユーザーコミュニティにより、当社のソリューションは進化し続け、常に変化する革新的な研究のニーズに応えています。

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Using Chemaxon’s suite of tools as core components of our chemistry workflows, they save us time while supporting strong, science-driven decisions. What sets them apart is that their team is professional, approachable, and genuinely invested in helping us succeed.