seqme.models.LogP

class seqme.models.LogP

Lipophilicity for SMILES sequences.

Installation: pip install "seqme[molecule_descriptors]"

Reference:

S. A. Wildman and Gordon M. Crippen, “Prediction of Physicochemical Parameters by Atomic Contributions” (https://pubs.acs.org/doi/10.1021/ci990307l)

__init__()

__call__(sequences)

Compute lipophilicity of SMILES sequence.

Parameters:

sequences (list[str]) – SMILES sequences.

Return type:

ndarray

Returns:

Log-P for each sequence.

Methods

__init__()
__call__(sequences)	Compute lipophilicity of SMILES sequence.