Remove Bioinformatics Remove Information Remove Small Molecule
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From siloed data to breakthroughs: multimodal AI in drug discovery

Drug Target Review

Unimodality does not allow for mixing data: cell data, images, molecular data, clinical data records, small molecule descriptors, ADME Tox data, transcriptomic data, text-based drug and disease representations, clinical trial protocols, publications and patent data, etc.

Drugs 64
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Unlocking the potential of natural products in drug discovery

Drug Target Review

Between 2000 and 2020, approximately 30 percent of the newly introduced small molecule drugs were derived from natural products. The greater the MS/MS coverage, the more structural information is acquired. Her major focus has been untargeted metabolomics method development and bioinformatics solutions for structure elucidation.

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Biochemical assays and deep cyclic inhibition in cancer treatment

Drug Target Review

Omics data, including pharmacogenomics data from 3D-TGAs, provide us with unique information about the molecular mechanisms of disease biology and drug response. Importantly, transcriptomics information shows that certain aspects of a disease change the gene expression profile.

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AI in Drug Discovery - A Highly Opinionated Literature Review (Part II)

Practical Cheminformatics

GPT-4 could provide the sequence and binding sites for the SARS-CoV-2 main protease, but this information can also be readily accessed through the PDB. The responses seemed more like a “ stochastic parrot ” that could grab information and key phrases from online documents. First, summarization and information retrieval.

Drugs 136
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Breakthrough in Functional Annotation with HiFi-NN

Nvidia Developer: Drug Discovery

HiFi-NN annotates protein sequences with enzyme commission (EC) numbers beating the current bioinformatics tool of choice ( blastp ), as well as other SoTA DL models, including CLEAN , in precision and recall (Table 1). For more information, see the NVIDIA BioNeMo product page.

Science 107
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AI-driven drug discovery: insights from Cresset

Drug Target Review

Cresset delivers software solutions and contract research expertise enabling companies around the world to accelerate their small molecule discovery processes efficiently and effectively. Users should be informed about the confidence levels of AI predictions and the underlying data sources.

Drugs 64
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Lead Pharma enters into a Research Collaboration and License Agreement with Roche to Develop Oral Small Molecules for Immune Mediated Diseases

The Pharma Data

R&D collaboration building on Lead Pharma’s expertise in the discovery, design and optimization of small molecule treatments. For more information visit: www.leadpharma.com. Lead Pharma may receive payments of up to €260 million plus royalties on sales. OSS, Netherlands , Nov.