The analysis of the biological effects of small molecules by mining lot of growing databases is an important task in the field of pharmaceutical sciences. To identify potential new similar drugs or to assess health risks from chemicals requires detailed knowledge about compounds. The pursued project is aiming at the integration of exist-ing data resources of small molecules that are combined with tools for the prediction of biological effects based on molecular interactions. Users can query the system for a given compound and retrieve information on questions such as: • Which other similar compounds exist? • Which proteins are mentioned in the literature in the same context of the given or similar compound(s)? • Has the compound been tested...
Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular t...
Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular t...
Chemogenomics comprises a systematic relationship between targets and ligands that are used as targe...
RT-158623Interactions of small organic molecules and proteins have been studied extensively in the s...
Motivation: The development of chemoinformatics has been hampered by the lack of large, publicly ava...
In this dissertation, I present several strategies to leverage experimental data towards a quantitat...
Motivation: The development of chemoinformatics has been hampered by the lack of large, publicly ava...
Based on the international workshop on 'Small Molecule - Protein Interactions' held in Berlin, April...
Experimental methodological developments in measuring protein-ligand interactions for small molecule...
gets. In this paper, we present a brief overview of many Target, chemical and bioactivity informatio...
There is currently great interest in the application of computational methods to chemical data such ...
Pharmaceutical chemistry deals with the process of isolating organic compounds from natural sources ...
Drug discovery is a complicated and expensive process in the billion dollar range. One way of making...
Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use o...
Summary: The MolClass toolkit and data portal generate computational models from user-defined small ...
Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular t...
Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular t...
Chemogenomics comprises a systematic relationship between targets and ligands that are used as targe...
RT-158623Interactions of small organic molecules and proteins have been studied extensively in the s...
Motivation: The development of chemoinformatics has been hampered by the lack of large, publicly ava...
In this dissertation, I present several strategies to leverage experimental data towards a quantitat...
Motivation: The development of chemoinformatics has been hampered by the lack of large, publicly ava...
Based on the international workshop on 'Small Molecule - Protein Interactions' held in Berlin, April...
Experimental methodological developments in measuring protein-ligand interactions for small molecule...
gets. In this paper, we present a brief overview of many Target, chemical and bioactivity informatio...
There is currently great interest in the application of computational methods to chemical data such ...
Pharmaceutical chemistry deals with the process of isolating organic compounds from natural sources ...
Drug discovery is a complicated and expensive process in the billion dollar range. One way of making...
Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use o...
Summary: The MolClass toolkit and data portal generate computational models from user-defined small ...
Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular t...
Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular t...
Chemogenomics comprises a systematic relationship between targets and ligands that are used as targe...