Whitepaper: Comparative Analysis of Training Machine Learning Algorithms on Different Data Scales

Prediction of Solubility & LogD

Poor drug solubility is one of the main obstacles in drug discovery and development and is strongly related to the choice of target explored. (Bergstrom et al., 2016). Solubility is critical for absorption and acceptable solubility in the intestinal fluid is required to achieve sufficiently high drug blood concentrations to obtain a therapeutic effect when systemic effects are warranted. The solubility of a compound affects its absorption, distribution, metabolism, excretion and toxicity (ADMET) profile. Only drug candidates whose ADMET properties are of sufficient quality can be further developed.

GOSTAR provides a unique 360⁰ view of over 8 million small molecules. The content in GOSTAR is meticulously curated with a proprietary QMS-ISO certified process. It captures the most up-to-date view of the chemical space with information on chemical structures and their biological properties, including binding, in-vitro, in-vivo, ADME, Tox, and physicochemical properties.

With the ability to connect via API, GOSTAR can seamlessly integrate into your systems, providing a continuously updated stream of bioactivity information. GOSTAR is uniquely suited to the needs of today’s AI / ML-based drug discovery programs.

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Locations

India

Hyderabad

NSL Arena, Uppal,
Hyderabad – 500039

North America

Boston

245 First Street, Cambridge
MA 02142

Europe

Utrecht

Melissekade 215, 3544 CW
Utrecht, Netherlands

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