Home Knowledge Base MACCS

MACCS

No mentions found

This entity hasn't been tracked yet, or Iris is still building its knowledge base.

Related Articles from SNS

The Geometry of Activity Cliffs: Representation Dependence and Multi-Scale Characterization of Activity Landscapes

Announce Type: cross Abstract: Activity cliffs, structurally similar compounds with large potency differences, are widely treated as intrinsic features of chemical datasets. We argue that apart from target biology, much of our cliff understanding is a consequence of the geometry induced by the chosen molecular representation, not a property of a molecule pair itself. We designed a six-step pipeline to systematically test this hypothesis.

arXiv Physics 9d ago

The Geometry of Activity Cliffs: Representation Dependence and Multi-Scale Characterization of Activity Landscapes

Announce Type: cross Abstract: Activity cliffs, structurally similar compounds with large potency differences, are widely treated as intrinsic features of chemical datasets. We argue that apart from target biology, much of our cliff understanding is a consequence of the geometry induced by the chosen molecular representation, not a property of a molecule pair itself. We designed a six-step pipeline to systematically test this hypothesis.

arXiv CS 9d ago

Comparison of Deep Learning Frameworks For Rice Disease Mapping From UAV Multispectral Imaging

arXiv:2606.06359v1 Announce Type: new Abstract: In this study, UAV multispectral imagery is used to segment the severity of bacterial leaf blight (BLB) in rice using convolutional neural networks (CNNs) and transformer-based models. The evaluated architectures include U-Net with a ResNet- 101 encoder, U-Net++ with EfficientNet-B3 and EfficientNetB7, DeepLabV3+, and SegFormer, all trained under a common pipeline with three input configurations (multispectral only, multispectral+NDVI, and...

arXiv CS 5d ago

A systematic investigation of molecular encoding methods for drug property predictions across neural network and Transformer encoder-based model

arXiv:2606.08973v1 Announce Type: cross Abstract: Fundamental investigations into how different molecular encoding methods affect molecular property prediction remain relatively limited. In this study, we extensively examined the optimal molecular encoding methods for molecular properties prediction using two prevalent structure designs: a classical neural network model (MLP) and a Transformer encoder-based model (MLP+TL). For molecular encoding methods, we investigated several types of...

arXiv CS 1d ago