# Publication

## [Machine Learning in Neuroplasticity](/content/machine-learning-in-neuroplasticity/index.html)

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](/content/an-optimized-approach-to-research-informatics-unlocking-the-power-of-machine-learning-and-generative-ai-in-drug-discovery-applications/index.html)

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](/content/biochemudm-a-unified-data-model-for-compounds-and-assays/index.html)

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](/content/megasyn-integrating-generative-molecular-design-automated-analog-designer-and-synthetic-viability-prediction/index.html)

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](/content/parp1-structural-insights-and-pharmacological-targets-for-inhibition/index.html)

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](/content/heterocyclic-regioisomer-enumeration-hrems-a-cheminformatics-design-tool/index.html)

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