Our services

Partner with us to advance your projects in collaboration with our innovative team that will apply our unique AI technology. Full lead discovery projects benefiting from our AI-platform or smaller med-chem problem solving needs, universal fragment library platform designs as well as other library design requests are equally important to us.

AI Services

AI-Assisted Lead Discovery

AI-ASSISTED LEAD DISCOVERY services may include lead generation from patent or literature information or may begin from hits identified by our partner. We will apply our powerful AID lead optimization platform to beat traditional timelines for a much-reduced cost. This combination of powerful values will allow more shots on goals for our biotech and Pharma partners for a fraction of the collaboration cost demanded by our competitors.

Universal Fragment Library Design Platform

The success of chemoproteomic screenings largely depends on the quality of the screening libraries. Existing fragment libraries are typically selected by diversity analysis of available fragments that possess desirable properties. Such libraries include many redundant pharmacophore and spacer motifs often resulting in few-to-no hits against difficult targets.

Our fragment library design platform is an assembly of several key technologies required to revolutionize the design of fragment libraries based on the combinations of all experimentally observed pharmacophore multiplets and growth vectors as well as synthetic feasibility, warhead reactivity, and spacer diversity considerations. The result is a universal covalent or noncovalent fragment library that is experimentally validated to yield good hit rates against both easy and challenging targets. The approach can further be tailored to optimize hit rates against specific protein classes.

AI Services

M C Problem Solving Orig

Medicinal Chemistry Problem Solving

MEDICINAL CHEMISTRY PROBLEM SOLVING has assisted >10 collaborators in >40 projects thus far. Our team can assist in various design tasks with or without knowing the target protein and proprietary SAR details developed by our partner. These short-term collaborations can quickly help eliminate time-consuming and costly roadblocks in lead optimization projects including scaffold hopping due to crowded IP space, ADMET issues, structural liabilities, unfavorable lead profile, generation of new lead class after candidate designation, etc. Results are communicated in reports and in a detailed table format easily analyzed by medicinal chemists. We have an experienced team further supported by accomplished advisors.

Library Design

LIBRARY DESIGN with full synthetic feasibility evaluation is not trivial. Novel scaffold design with short synthetic sequences and budget control, library design using DEL compatible chemistries, multistep library enumeration with AI-assisted forward synthesis are all within reach using our technologies. Unlike SynSpace, simple enumerators do not consider synthetic feasibility, side-reactions or synthesis cost or timelines that can lead to frustration or low success rate in the practical execution of the virtual results. Our software is also ideally suited for the design of fragment optimization sets, once SAR by catalog has been utilized. Our team has >30 years expertise in various library design tasks and >10 years in fragment-based lead discovery in industrial settings.

Library Services

AI Services

AI-Assisted Lead Discovery

AI-ASSISTED LEAD DISCOVERY services may include lead generation from patent or literature information or may begin from hits identified by our partner. We will apply our powerful AI-assisted lead optimization platform to beat traditional timelines for a much-reduced cost. This combination of powerful values will allow more shots on goals for our biotech and Pharma partners for a fraction of the collaboration cost demanded by our competitors.

AI Services

Universal Fragment Library Design Platform

The success of chemoproteomic screenings largely depends on the quality of the screening libraries. Existing fragment libraries are typically selected by diversity analysis of available fragments that possess desirable properties. Such libraries include many redundant pharmacophore and spacer motifs often resulting in few-to-no hits against difficult targets.

Our fragment library design platform is an assembly of several key technologies required to revolutionize the design of fragment libraries based on the combinations of all experimentally observed pharmacophore multiplets and growth vectors as well as synthetic feasibility, warhead reactivity, and spacer diversity considerations. The result is a universal covalent or noncovalent fragment library that is experimentally validated to yield good hit rates against both easy and challenging targets. The approach can further be tailored to optimize hit rates against specific protein classes.

M C Problem Solving Orig

Medicinal Chemistry Problem Solving

MEDICINAL CHEMISTRY PROBLEM SOLVING has assisted >10 collaborators in >40 projects thus far. Our team can assist in various design tasks with or without knowing the target protein and proprietary SAR details developed by our partner. These short-term collaborations can quickly help eliminate time-consuming and costly roadblocks in lead optimization projects including scaffold hopping due to crowded IP space, ADMET issues, structural liabilities, unfavorable lead profile, generation of new lead class after candidate designation, etc. Results are communicated in reports and in a detailed table format easily analyzed by medicinal chemists. We have an experienced team further supported by accomplished advisors.

Library Services

Library Design

LIBRARY DESIGN with full synthetic feasibility evaluation is not trivial. Novel scaffold design with short synthetic sequences and budget control, library design using DEL compatible chemistries, multistep library enumeration with AI-assisted forward synthesis are all within reach using our technologies. Unlike SynSpace, simple enumerators do not consider synthetic feasibility, side-reactions or synthesis cost or timelines that can lead to frustration or low success rate in the practical execution of the virtual results. Our software is also ideally suited for the design of fragment optimization sets, once SAR by catalog has been utilized. Our team has >30 years expertise in various library design tasks and >10 years in fragment-based lead discovery in industrial settings.