small-molecule

LLM for Drug Editing, ICLR 2024

A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data

Prediction of Protein-Small molecule binding affinities

Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomics, exposomics, and environmental studies.

United Formula Annotation (UFA) for LC-HRMS data

Composite Spectra Analysis

MolMeDB is an open chemistry database about interactions of molecules with membranes.

ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.

Can we generate liquidity & independent price signal for computationally-derived small-molecules at scale?

Refinement and analysis of structures against single crystal diffraction data

Open-source research pipeline for small-molecule chemical patent analysis, FTO evidence triage, claim mapping, OCSR and counsel-supervised reports. Not legal advice.

Open-source R&D twin for early small-molecule lead optimization with cheminformatics, Rowan predictions, validation, visualization, and Pareto ranking.

biosynthetic-gene-clusters toolkit

Autobahn Therapeutics — independent third-party profile of a public API surface, by API Evangelist. Autobahn Therapeutics is a clinical-stage biopharmaceutical company based in San Diego, California, developing regenerative medicines for central nervous system (CNS) disorders. The company pairs a proprietary brain-targeting chemistry platform - whi

abbisko — independent third-party profile of a public API surface, by API Evangelist. Abbisko Therapeutics (上海和誉生物医药科技有限公司) is a Shanghai-based clinical-stage biopharmaceutical company focused on the discovery and development of innovative small-molecule therapeutics, primarily in oncology. It was surfaced as a portfolio company of Qiming Venture P

kechowpharma — independent third-party profile of a public API surface, by API Evangelist. Kechow Pharma (Shanghai Kezhou Pharmaceutical Co., Ltd.) is a clinical-stage biopharmaceutical company founded in 2014 and headquartered in Shanghai's Zhangjiang High-Tech Park.

Avicenna Biosciences — independent third-party profile of a public API surface, by API Evangelist. Avicenna Biosciences, Inc. is a Durham, North Carolina drug development company using machine learning-enhanced medicinal chemistry to accelerate the lead-to-candidate optimization process for small molecule drug development.

Inductive Bio — independent third-party profile of a public API surface, by API Evangelist. Inductive Bio is an AI-powered virtual lab for small molecule drug discovery, based in New York and founded in 2022 by Josh Haimson and Ben Birnbaum (both formerly of Flatiron Health).