Publication

Machine Learning in Neuroplasticity

Accelerating Neuropsychiatric Drug Discovery with ML Machine learning is unlocking new frontiers in neuropsychiatric research. In collaboration with Delix Therapeutics,…

White Paper – From Data to Drug Discovery

From Data to Drug Discovery Machine learning (ML) has become a cornerstone of the drug discovery process, offering new tools…

BioChemUDM: a unified data model for compounds and assays

BioChemUDM: a unified data model for compounds and assays We present a simple, biochemistry data model (BioChemUDM) to represent compounds…

MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction

MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction Generative machine learning models have become widely adopted…

PARP1: Structural insights and pharmacological targets for inhibition

PARP1: Structural insights and pharmacological targets for inhibition Poly(ADP-ribose) polymerase 1 (PARP1, also known as ADPRT1) is a multifunctional human…

Heterocyclic Regioisomer Enumeration (HREMS): A Cheminformatics Design Tool

Heterocyclic Regioisomer Enumeration (HREMS): A Cheminformatics Design Tool We report the development and implementation of a cheminformatics tool which aids…