Increasing the efficiency of small-molecule drug discovery

Using Machine Learning to Parse Chemical Mixture Descriptions.

ACS omega·2021

Capturing mixture composition: an open machine-readable format for representing mixed substances.

Journal of cheminformatics·2019

Data Mining and Computational Modeling of High-Throughput Screening Datasets.

Methods in molecular biology (Clifton, N.J.)·2018

Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB).

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Thermodynamic Proxies to Compensate for Biases in Drug Discovery Methods.

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Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery.

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Outer membrane as a drug target for the treatment of GNB infections.

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Organic & biomolecular chemistry·2026

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Nanoscale·2026

Fluorescent NHC Gold(I) Complexes as Tools for Target Identification and Metallomic Studies in Cancer Cells.

Inorganic chemistry·2026

Computational and Experimental Approaches for HPMCAS-Based Solid Dispersions of Abiraterone Acetate: Formulation, Characterization, and Biopharmaceutical Enhancement Evaluation.

Drug development and industrial pharmacy·2026

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Omics : a journal of integrative biology·2026

M2-PRNet: Multi-Scale and Multi-Modal Learning for Protein-RNA Binding Affinity Prediction.

Bioinformatics (Oxford, England)·2026

Related Experiment Videos

Increasing the efficiency of small-molecule drug discovery

Related Concept Videos

Using Machine Learning to Parse Chemical Mixture Descriptions.

Capturing mixture composition: an open machine-readable format for representing mixed substances.

Data Mining and Computational Modeling of High-Throughput Screening Datasets.

Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB).

Thermodynamic Proxies to Compensate for Biases in Drug Discovery Methods.

Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery.

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Outer membrane as a drug target for the treatment of GNB infections.

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Synthesis and preclinical validation of 5HT1A receptor-targeted carbon dots functionalized with Gd3+ and 99mTc as a multi-modal SPECT and MRI probe for molecular imaging.

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