jgmeyerucsd / drug-class
comparing drug classification methods
☆19Updated 4 years ago
Alternatives and similar repositories for drug-class:
Users that are interested in drug-class are comparing it to the libraries listed below
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆30Updated 6 months ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆13Updated 4 years ago
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)☆20Updated 5 months ago
- Computational Analysis of Novel Drug Opportunities☆35Updated this week
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 2 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆15Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆18Updated 2 years ago
- Derivation of structural alerts from bioactivity data sets☆29Updated 8 years ago
- Machine Learning Designs Non-Hemolytic Antimicrobial Peptides☆30Updated 3 years ago
- ☆28Updated 8 months ago
- ☆9Updated 5 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆32Updated 8 months ago
- Learning with uncertainty for biological discovery and design☆33Updated last year
- ☆23Updated 3 years ago
- ☆23Updated 3 years ago
- ☆15Updated 4 months ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆34Updated last week
- Model to predict kinase-ligand pKi values.☆12Updated last year
- KDS software for Kinase Drug Selectivity☆11Updated last year
- ☆10Updated 5 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated last year
- Antibody Annotation - Annotate VH and VL sequences (FR and CDR) in Python☆28Updated last year
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆17Updated this week
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆16Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated 11 months ago